 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer04_STD_M11_def2SVPD.in
 Output=26_junionone_conformer04_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-184688.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    184716.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer04_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:48:21 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer04_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.563436000000     -0.729672000000      1.520857000000
  C                                                 2.064169000000     -0.295175000000      0.147987000000
  C                                                 0.913913000000      0.297997000000     -0.759656000000
  C                                                -0.457172000000     -0.234905000000     -0.607701000000
  C                                                -1.526747000000      0.432256000000     -0.171814000000
  C                                                -2.854030000000     -0.220333000000     -0.046417000000
  O                                                -3.035071000000     -1.392293000000     -0.312062000000
  C                                                 2.915069000000     -1.378214000000     -0.489725000000
  C                                                 2.663856000000      1.139073000000      0.184553000000
  C                                                 1.305201000000      1.711207000000     -0.281468000000
  C                                                -3.981142000000      0.663387000000      0.438466000000
  H                                                 3.441327000000      1.268677000000     -0.569534000000
  H                                                 3.047149000000      1.480572000000      1.146370000000
  H                                                 1.223447000000      0.160284000000     -1.801272000000
  H                                                 0.696371000000      2.043708000000      0.558807000000
  H                                                 1.320400000000      2.500522000000     -1.031469000000
  H                                                 0.975282000000     -1.647267000000      1.457061000000
  H                                                 0.935555000000      0.032688000000      1.984412000000
  H                                                 2.410704000000     -0.916728000000      2.184750000000
  H                                                 3.285809000000     -1.064848000000     -1.467813000000
  H                                                 2.342708000000     -2.299836000000     -0.624139000000
  H                                                 3.778609000000     -1.614247000000      0.137775000000
  H                                                -0.605465000000     -1.280098000000     -0.869451000000
  H                                                -1.457335000000      1.479231000000      0.100875000000
  H                                                -4.108725000000      1.513428000000     -0.237285000000
  H                                                -3.738662000000      1.073953000000      1.422477000000
  H                                                -4.905923000000      0.094576000000      0.494443000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:48:21 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.563436   -0.729672    1.520857
      2          6           0        2.064169   -0.295175    0.147987
      3          6           0        0.913913    0.297997   -0.759656
      4          6           0       -0.457172   -0.234905   -0.607701
      5          6           0       -1.526747    0.432256   -0.171814
      6          6           0       -2.854030   -0.220333   -0.046417
      7          8           0       -3.035071   -1.392293   -0.312062
      8          6           0        2.915069   -1.378214   -0.489725
      9          6           0        2.663856    1.139073    0.184553
     10          6           0        1.305201    1.711207   -0.281468
     11          6           0       -3.981142    0.663387    0.438466
     12          1           0        3.441327    1.268677   -0.569534
     13          1           0        3.047149    1.480572    1.146370
     14          1           0        1.223447    0.160284   -1.801272
     15          1           0        0.696371    2.043708    0.558807
     16          1           0        1.320400    2.500522   -1.031469
     17          1           0        0.975282   -1.647267    1.457061
     18          1           0        0.935555    0.032688    1.984412
     19          1           0        2.410704   -0.916728    2.184750
     20          1           0        3.285809   -1.064848   -1.467813
     21          1           0        2.342708   -2.299836   -0.624139
     22          1           0        3.778609   -1.614247    0.137775
     23          1           0       -0.605465   -1.280098   -0.869451
     24          1           0       -1.457335    1.479231    0.100875
     25          1           0       -4.108725    1.513428   -0.237285
     26          1           0       -3.738662    1.073953    1.422477
     27          1           0       -4.905923    0.094576    0.494443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524563   0.000000
     3  C    2.584323   1.580746   0.000000
     4  C    2.976308   2.632842   1.478834   0.000000
     5  C    3.710046   3.677786   2.514042   1.333826   0.000000
     6  C    4.714847   4.922609   3.869725   2.461743   1.484344
     7  O    4.994489   5.236178   4.318784   2.841217   2.371432
     8  C    2.507979   1.517788   2.624342   3.562735   4.807140
     9  C    2.547320   1.555001   2.158990   3.500900   4.264709
    10  C    3.045152   2.187700   1.542379   2.645702   3.109288
    11  C    5.818464   6.127724   5.052778   3.784146   2.539669
    12  H    3.448131   2.203868   2.714072   4.178578   5.053666
    13  H    2.688275   2.261923   3.095499   4.277837   4.874126
    14  H    3.456032   2.171144   1.095326   2.098873   3.208219
    15  H    3.060879   2.740441   2.198449   2.807753   2.841274
    16  H    4.124026   3.124137   2.256154   3.289666   3.622565
    17  H    1.091776   2.174282   2.949856   2.882695   3.638379
    18  H    1.091014   2.180303   2.756949   2.954716   3.297256
    19  H    1.092523   2.157503   3.519299   4.060465   4.782956
    20  H    3.465698   2.166936   2.825725   3.929186   5.204001
    21  H    2.770142   2.166201   2.967921   3.479014   4.758320
    22  H    2.757241   2.163183   3.559290   4.516654   5.694807
    23  H    3.274244   3.021953   2.193387   1.087627   2.065820
    24  H    4.002582   3.943568   2.785434   2.107289   1.084128
    25  H    6.347911   6.443920   5.193942   4.065429   2.799970
    26  H    5.601338   6.096859   5.197140   4.074667   2.801090
    27  H    6.601933   6.989572   5.956898   4.595070   3.460745
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215250   0.000000
     8  C    5.900823   5.952808   0.000000
     9  C    5.687565   6.255574   2.618109   0.000000
    10  C    4.591873   5.335786   3.489924   1.546110   0.000000
    11  C    1.512103   2.384148   7.251717   6.666839   5.437063
    12  H    6.490171   7.006482   2.699879   1.090828   2.200420
    13  H    6.256176   6.882861   3.296500   1.090242   2.264133
    14  H    4.455357   4.771081   2.636042   2.641270   2.172982
    15  H    4.254119   5.146666   4.210889   2.197596   1.089630
    16  H    5.079296   5.885719   4.228599   2.266523   1.088922
    17  H    4.354333   4.390642   2.761365   3.497749   3.796140
    18  H    4.306883   4.803148   3.468497   2.729580   2.843990
    19  H    5.760251   6.009717   2.760466   2.879443   3.769670
    20  H    6.358553   6.434012   1.091926   2.823899   3.610638
    21  H    5.627094   5.462740   1.093184   3.547283   4.157200
    22  H    6.780031   6.832119   1.093238   2.970797   4.165592
    23  H    2.618498   2.495247   3.542313   4.201401   3.597815
    24  H    2.204761   3.302335   5.256588   4.136052   2.798500
    25  H    2.148632   3.098635   7.599934   6.796024   5.417718
    26  H    2.148348   3.096132   7.344506   6.521421   5.361910
    27  H    2.145218   2.522165   8.019078   7.647781   6.464797
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.515017   0.000000
    13  H    7.110963   1.773303   0.000000
    14  H    5.688346   2.768520   3.709130   0.000000
    15  H    4.878411   3.067346   2.487672   3.065138   0.000000
    16  H    5.800183   2.495828   2.960565   2.465504   1.768352
    17  H    5.562625   4.323331   3.764643   3.734376   3.808930
    18  H    5.192460   3.785393   2.693977   3.798758   2.476643
    19  H    6.811899   3.663913   2.688930   4.296266   3.787718
    20  H    7.709038   2.505280   3.656511   2.421875   4.524986
    21  H    7.064057   3.734197   4.233488   2.947979   4.793346
    22  H    8.092698   2.987523   3.336196   3.665749   4.801884
    23  H    4.108890   4.791944   5.002642   2.507570   3.844787
    24  H    2.673793   4.948805   4.624223   3.541804   2.273056
    25  H    1.093383   7.561321   7.288492   5.719188   4.899378
    26  H    1.093453   7.453742   6.803588   5.987476   4.621241
    27  H    1.087152   8.496302   8.099219   6.545518   5.932028
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.849334   0.000000
    18  H    3.915846   1.761229   0.000000
    19  H    4.817720   1.767386   1.765670   0.000000
    20  H    4.094520   3.772616   4.318117   3.758852   0.000000
    21  H    4.924883   2.574314   3.771642   3.131688   1.768169
    22  H    4.933685   3.098427   3.769008   2.558868   1.767089
    23  H    4.245974   2.836588   3.498955   4.307837   3.942890
    24  H    3.168762   4.187106   3.371368   5.004486   5.606294
    25  H    5.574987   6.221570   5.707301   7.367148   7.927221
    26  H    5.800953   5.443115   4.821650   6.508346   7.891225
    27  H    6.847195   6.208802   6.028823   7.577130   8.502893
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764187   0.000000
    23  H    3.129180   4.510683   0.000000
    24  H    5.408079   6.081618   3.046492   0.000000
    25  H    7.504107   8.493118   4.525069   2.673086   0.000000
    26  H    7.249424   8.086176   4.539979   2.667459   1.756387
    27  H    7.715380   8.858238   4.716341   3.736967   1.784402
                   26         27
    26  H    0.000000
    27  H    1.784075   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.563436   -0.729672    1.520857
      2          6           0        2.064169   -0.295175    0.147987
      3          6           0        0.913913    0.297997   -0.759656
      4          6           0       -0.457172   -0.234905   -0.607701
      5          6           0       -1.526747    0.432256   -0.171814
      6          6           0       -2.854030   -0.220333   -0.046417
      7          8           0       -3.035071   -1.392293   -0.312062
      8          6           0        2.915069   -1.378214   -0.489725
      9          6           0        2.663856    1.139073    0.184553
     10          6           0        1.305201    1.711207   -0.281468
     11          6           0       -3.981142    0.663387    0.438466
     12          1           0        3.441327    1.268677   -0.569534
     13          1           0        3.047149    1.480572    1.146370
     14          1           0        1.223447    0.160284   -1.801272
     15          1           0        0.696371    2.043708    0.558807
     16          1           0        1.320400    2.500522   -1.031469
     17          1           0        0.975282   -1.647267    1.457061
     18          1           0        0.935555    0.032688    1.984412
     19          1           0        2.410704   -0.916728    2.184750
     20          1           0        3.285809   -1.064848   -1.467813
     21          1           0        2.342708   -2.299836   -0.624139
     22          1           0        3.778609   -1.614247    0.137775
     23          1           0       -0.605465   -1.280098   -0.869451
     24          1           0       -1.457335    1.479231    0.100875
     25          1           0       -4.108725    1.513428   -0.237285
     26          1           0       -3.738662    1.073953    1.422477
     27          1           0       -4.905923    0.094576    0.494443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2319954           0.5287193           0.4855268
 Leave Link  202 at Thu Aug 12 21:48:21 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       611.0483324992 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:48:22 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.78D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 21:48:22 2021, MaxMem=  5368709120 cpu:               3.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:48:23 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer04_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:48:23 2021, MaxMem=  5368709120 cpu:               3.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.239840617584    
 DIIS: error= 3.60D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.239840617584     IErMin= 1 ErrMin= 3.60D-03
 ErrMax= 3.60D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-02 BMatP= 1.66D-02
 IDIUse=3 WtCom= 9.64D-01 WtEn= 3.60D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.381 Goal=   None    Shift=    0.000
 GapD=    0.381 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.26D-03 MaxDP=3.20D-01              OVMax= 2.20D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.11D-03    CP:  1.07D+00
 E= -465.257695917610     Delta-E=       -0.017855300026 Rises=F Damp=F
 DIIS: error= 1.49D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.257695917610     IErMin= 2 ErrMin= 1.49D-03
 ErrMax= 1.49D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.57D-04 BMatP= 1.66D-02
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.49D-02
 Coeff-Com: -0.283D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.279D-01 0.103D+01
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.40D-03 MaxDP=1.01D-01 DE=-1.79D-02 OVMax= 1.18D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.05D-04    CP:  1.10D+00  1.14D+00
 E= -465.258212570333     Delta-E=       -0.000516652723 Rises=F Damp=F
 DIIS: error= 1.31D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.258212570333     IErMin= 3 ErrMin= 1.31D-03
 ErrMax= 1.31D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.53D-04 BMatP= 7.57D-04
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.31D-02
 Coeff-Com: -0.649D-01 0.537D+00 0.528D+00
 Coeff-En:   0.000D+00 0.140D+00 0.860D+00
 Coeff:     -0.641D-01 0.531D+00 0.533D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=1.83D-04 MaxDP=1.18D-02 DE=-5.17D-04 OVMax= 6.19D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.37D-04    CP:  1.11D+00  1.16D+00  1.02D+00
 E= -465.258726925100     Delta-E=       -0.000514354766 Rises=F Damp=F
 DIIS: error= 2.45D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.258726925100     IErMin= 4 ErrMin= 2.45D-04
 ErrMax= 2.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.84D-05 BMatP= 7.53D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.45D-03
 Coeff-Com: -0.150D-01 0.387D-01 0.165D+00 0.811D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.150D-01 0.386D-01 0.165D+00 0.812D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=7.26D-05 MaxDP=2.24D-03 DE=-5.14D-04 OVMax= 1.45D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.39D-05    CP:  1.11D+00  1.16D+00  1.05D+00  1.10D+00
 E= -465.258754155418     Delta-E=       -0.000027230318 Rises=F Damp=F
 DIIS: error= 6.62D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.258754155418     IErMin= 5 ErrMin= 6.62D-05
 ErrMax= 6.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.70D-06 BMatP= 2.84D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.235D-02-0.455D-01-0.931D-02 0.258D+00 0.795D+00
 Coeff:      0.235D-02-0.455D-01-0.931D-02 0.258D+00 0.795D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=2.68D-05 MaxDP=9.38D-04 DE=-2.72D-05 OVMax= 5.64D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.98D-05    CP:  1.11D+00  1.16D+00  1.07D+00  1.12D+00  1.04D+00
 E= -465.258757499513     Delta-E=       -0.000003344096 Rises=F Damp=F
 DIIS: error= 1.30D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.258757499513     IErMin= 6 ErrMin= 1.30D-05
 ErrMax= 1.30D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-07 BMatP= 2.70D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.169D-02-0.170D-01-0.129D-01 0.328D-01 0.247D+00 0.748D+00
 Coeff:      0.169D-02-0.170D-01-0.129D-01 0.328D-01 0.247D+00 0.748D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=6.82D-06 MaxDP=1.64D-04 DE=-3.34D-06 OVMax= 3.08D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.46D-06    CP:  1.11D+00  1.16D+00  1.07D+00  1.13D+00  1.09D+00
                    CP:  1.01D+00
 E= -465.258757816814     Delta-E=       -0.000000317301 Rises=F Damp=F
 DIIS: error= 6.30D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.258757816814     IErMin= 7 ErrMin= 6.30D-06
 ErrMax= 6.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.13D-08 BMatP= 2.15D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.187D-03 0.107D-02-0.224D-02-0.279D-01-0.465D-01 0.265D+00
 Coeff-Com:  0.811D+00
 Coeff:      0.187D-03 0.107D-02-0.224D-02-0.279D-01-0.465D-01 0.265D+00
 Coeff:      0.811D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=3.61D-06 MaxDP=2.26D-04 DE=-3.17D-07 OVMax= 1.06D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.59D-06    CP:  1.11D+00  1.16D+00  1.07D+00  1.13D+00  1.10D+00
                    CP:  1.10D+00  1.06D+00
 E= -465.258757886970     Delta-E=       -0.000000070156 Rises=F Damp=F
 DIIS: error= 1.63D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.258757886970     IErMin= 8 ErrMin= 1.63D-06
 ErrMax= 1.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-09 BMatP= 4.13D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.172D-03 0.213D-02 0.179D-02-0.756D-02-0.382D-01-0.501D-01
 Coeff-Com:  0.509D-01 0.104D+01
 Coeff:     -0.172D-03 0.213D-02 0.179D-02-0.756D-02-0.382D-01-0.501D-01
 Coeff:      0.509D-01 0.104D+01
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=1.20D-06 MaxDP=8.68D-05 DE=-7.02D-08 OVMax= 6.09D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.02D-07    CP:  1.11D+00  1.16D+00  1.07D+00  1.13D+00  1.10D+00
                    CP:  1.12D+00  1.15D+00  1.23D+00
 E= -465.258757894459     Delta-E=       -0.000000007489 Rises=F Damp=F
 DIIS: error= 4.17D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.258757894459     IErMin= 9 ErrMin= 4.17D-07
 ErrMax= 4.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-10 BMatP= 2.14D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.443D-04 0.286D-03 0.590D-03 0.724D-03-0.342D-02-0.209D-01
 Coeff-Com: -0.646D-01 0.188D+00 0.900D+00
 Coeff:     -0.443D-04 0.286D-03 0.590D-03 0.724D-03-0.342D-02-0.209D-01
 Coeff:     -0.646D-01 0.188D+00 0.900D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=3.83D-07 MaxDP=2.04D-05 DE=-7.49D-09 OVMax= 1.50D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.29D-07    CP:  1.11D+00  1.16D+00  1.07D+00  1.13D+00  1.10D+00
                    CP:  1.13D+00  1.16D+00  1.32D+00  1.11D+00
 E= -465.258757895090     Delta-E=       -0.000000000631 Rises=F Damp=F
 DIIS: error= 1.68D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.258757895090     IErMin=10 ErrMin= 1.68D-07
 ErrMax= 1.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.14D-11 BMatP= 2.64D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.147D-04-0.249D-03-0.952D-04 0.116D-02 0.446D-02 0.573D-02
 Coeff-Com: -0.280D-01-0.101D+00 0.176D+00 0.942D+00
 Coeff:      0.147D-04-0.249D-03-0.952D-04 0.116D-02 0.446D-02 0.573D-02
 Coeff:     -0.280D-01-0.101D+00 0.176D+00 0.942D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=1.82D-07 MaxDP=8.20D-06 DE=-6.31D-10 OVMax= 5.88D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.53D-08    CP:  1.11D+00  1.16D+00  1.07D+00  1.13D+00  1.10D+00
                    CP:  1.13D+00  1.15D+00  1.35D+00  1.21D+00  1.31D+00
 E= -465.258757895163     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 4.96D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.258757895163     IErMin=11 ErrMin= 4.96D-08
 ErrMax= 4.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.27D-12 BMatP= 4.14D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.715D-05-0.731D-04-0.654D-04 0.128D-03 0.107D-02 0.413D-02
 Coeff-Com: -0.658D-03-0.339D-01-0.667D-01 0.159D+00 0.937D+00
 Coeff:      0.715D-05-0.731D-04-0.654D-04 0.128D-03 0.107D-02 0.413D-02
 Coeff:     -0.658D-03-0.339D-01-0.667D-01 0.159D+00 0.937D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=5.93D-08 MaxDP=3.12D-06 DE=-7.32D-11 OVMax= 1.68D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.33D-08    CP:  1.11D+00  1.16D+00  1.07D+00  1.13D+00  1.10D+00
                    CP:  1.13D+00  1.15D+00  1.35D+00  1.23D+00  1.46D+00
                    CP:  1.25D+00
 E= -465.258757895206     Delta-E=       -0.000000000043 Rises=F Damp=F
 DIIS: error= 1.93D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.258757895206     IErMin=12 ErrMin= 1.93D-08
 ErrMax= 1.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.38D-13 BMatP= 4.27D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.435D-06 0.161D-04 0.210D-05-0.126D-03-0.361D-03 0.440D-03
 Coeff-Com:  0.275D-02 0.719D-02-0.382D-01-0.888D-01 0.221D+00 0.896D+00
 Coeff:     -0.435D-06 0.161D-04 0.210D-05-0.126D-03-0.361D-03 0.440D-03
 Coeff:      0.275D-02 0.719D-02-0.382D-01-0.888D-01 0.221D+00 0.896D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=2.26D-08 MaxDP=1.88D-06 DE=-4.25D-11 OVMax= 4.73D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.05D-08    CP:  1.11D+00  1.16D+00  1.07D+00  1.13D+00  1.10D+00
                    CP:  1.13D+00  1.15D+00  1.36D+00  1.23D+00  1.50D+00
                    CP:  1.37D+00  1.16D+00
 E= -465.258757895205     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 5.81D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -465.258757895206     IErMin=13 ErrMin= 5.81D-09
 ErrMax= 5.81D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.02D-14 BMatP= 5.38D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.761D-06 0.110D-04 0.779D-05-0.482D-04-0.195D-03-0.247D-03
 Coeff-Com:  0.563D-03 0.527D-02-0.372D-02-0.381D-01-0.370D-01 0.222D+00
 Coeff-Com:  0.852D+00
 Coeff:     -0.761D-06 0.110D-04 0.779D-05-0.482D-04-0.195D-03-0.247D-03
 Coeff:      0.563D-03 0.527D-02-0.372D-02-0.381D-01-0.370D-01 0.222D+00
 Coeff:      0.852D+00
 Gap=     0.382 Goal=   None    Shift=    0.000
 RMSDP=5.85D-09 MaxDP=2.88D-07 DE= 2.27D-13 OVMax= 1.22D-07

 SCF Done:  E(RM11) =  -465.258757895     A.U. after   13 cycles
            NFock= 13  Conv=0.59D-08     -V/T= 2.0124
 KE= 4.595436776838D+02 PE=-2.299551303956D+03 EE= 7.637005358782D+02
 Leave Link  502 at Thu Aug 12 21:51:39 2021, MaxMem=  5368709120 cpu:            1563.1 elap:             196.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.60013882D+02

 Leave Link  801 at Thu Aug 12 21:51:40 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 4.07D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.62D-01 4.79D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 2.86D-02 7.90D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 2.61D-03 1.34D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 1.69D-04 2.30D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 9.74D-06 5.31D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 4.49D-07 1.07D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 1.79D-08 2.29D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 6.15D-10 3.12D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.78D-11 5.46D-07.
      8 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 4.67D-13 7.21D-08.
      1 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 1.25D-14 1.26D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.164118D+03
      2 -0.317419D+01  0.118396D+03
      3 -0.514876D+01  0.208611D+01  0.101746D+03
 Isotropic polarizability for W=    0.085645      128.09 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.574051D+02 -0.126989D+02  0.199927D+02
      2   0.106636D+02  0.166030D+02 -0.312072D+02
      3   0.467415D+02 -0.390406D+01  0.112145D+02
      4   0.348067D+01  0.245063D+02 -0.229321D+02
      5   0.281483D+02 -0.241074D+02  0.791296D+02
      6  -0.359300D+01 -0.354620D+01  0.134817D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.225791D+00  0.494113D+01 -0.748974D+01
      2   0.331795D+02 -0.105530D+02  0.301692D+02
      3   0.223303D+02 -0.129604D+02  0.113130D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.117527D+01  0.276610D+02 -0.173857D+02
      2  -0.815556D+01 -0.193391D+02  0.323880D+02
      3   0.161796D+02 -0.138427D+02  0.205144D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.861800D-01 -0.709197D+01 -0.386091D+01
      2  -0.709197D+01  0.934617D+00 -0.198403D+01
      3  -0.386091D+01 -0.198403D+01 -0.350114D-01
 OR G Eigenvalues:    -8.6375     1.7910     7.8323  Iso=    -0.3286
 Eigenvectors:
   (1)   0.675654   0.591729   0.439714
   (2)  -0.194061  -0.432658   0.880424
   (3)   0.711219  -0.680194  -0.177496
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3286 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =     -102.37 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 7.38D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.74D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 4.89D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 5.76D-02 6.90D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 3.93D-03 1.75D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 6.10D-05 1.05D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.30D-06 1.13D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 2.02D-08 2.24D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 2.69D-10 2.03D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 2.77D-12 1.58D-07.
     19 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 2.26D-14 1.41D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   259 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.67D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.67D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.96D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.164118D+03 -0.317419D+01 -0.514876D+01
      2  -0.317419D+01  0.118396D+03  0.208611D+01
      3  -0.514876D+01  0.208611D+01  0.101746D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.225791D+00  0.494113D+01 -0.748974D+01
      2   0.331795D+02 -0.105530D+02  0.301692D+02
      3   0.223303D+02 -0.129604D+02  0.113130D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.574051D+02 -0.126989D+02  0.199927D+02
      2   0.106636D+02  0.166030D+02 -0.312072D+02
      3   0.467415D+02 -0.390406D+01  0.112145D+02
      4   0.348067D+01  0.245063D+02 -0.229321D+02
      5   0.281483D+02 -0.241074D+02  0.791296D+02
      6  -0.359300D+01 -0.354620D+01  0.134817D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.309771D+01  0.128889D+01 -0.399833D+01  0.677022D+00  0.361634D+01
      2   0.128889D+01  0.357816D+01  0.219269D+01  0.361634D+01  0.217879D+01
      3  -0.399833D+01  0.219269D+01 -0.345877D+01  0.215990D+01 -0.153129D+01
                 6             7             8             9            10 
      1   0.215990D+01 -0.379142D+01  0.269785D+01 -0.324873D+01  0.206045D+02
      2  -0.153129D+01  0.269785D+01 -0.992975D+00 -0.900453D+00 -0.282835D+01
      3  -0.147601D+01 -0.324873D+01 -0.900453D+00  0.661994D+00  0.358164D+01
                11            12            13            14            15 
      1  -0.282835D+01  0.358164D+01 -0.982988D+01 -0.223354D+01 -0.262255D+01
      2  -0.274313D+01 -0.216844D+01 -0.223354D+01 -0.473639D+01  0.105143D+01
      3  -0.216844D+01  0.326745D+01 -0.262255D+01  0.105143D+01  0.970010D+00
                16            17            18            19            20 
      1   0.133084D+02 -0.324865D+01  0.536141D+01 -0.360303D+02  0.243883D+01
      2  -0.324865D+01  0.178308D+01  0.519183D+00  0.243883D+01 -0.207683D+01
      3   0.536141D+01  0.519183D+00 -0.236184D+01 -0.302928D+00  0.897896D+00
                21            22            23            24            25 
      1  -0.302928D+00  0.813837D+01 -0.259991D+01  0.221258D+01 -0.508270D+01
      2   0.897896D+00 -0.259991D+01 -0.232227D+01 -0.175264D+01  0.217894D+01
      3  -0.295500D+01  0.221258D+01 -0.175264D+01  0.184393D+01 -0.683853D+01
                26            27            28            29            30 
      1   0.217894D+01 -0.683853D+01  0.532158D+02 -0.777505D+00 -0.325031D+01
      2  -0.222230D+01  0.145298D+01 -0.777505D+00  0.180149D+01 -0.623003D+00
      3   0.145298D+01  0.493474D+01 -0.325031D+01 -0.623003D+00  0.268887D+01
                31            32            33            34            35 
      1  -0.127240D+02  0.184482D+01  0.153130D+00 -0.136406D+02 -0.132935D+01
      2   0.184482D+01  0.283123D+01  0.146133D+01 -0.132935D+01  0.933122D+00
      3   0.153130D+00  0.146133D+01 -0.114258D+01  0.608922D+01 -0.180390D+00
                36            37            38            39            40 
      1   0.608922D+01 -0.501615D+02 -0.245859D+01  0.325554D+01  0.121975D+02
      2  -0.180390D+00 -0.245859D+01 -0.104531D+01  0.908218D+00 -0.350761D+01
      3  -0.432408D+01  0.325554D+01  0.908218D+00 -0.193026D+01 -0.486841D+00
                41            42            43            44            45 
      1  -0.350761D+01 -0.486841D+00  0.143624D+02  0.137074D+01 -0.505597D+01
      2  -0.227987D+01 -0.138473D+01  0.137074D+01 -0.137202D+01  0.668200D+00
      3  -0.138473D+01  0.199271D+01 -0.505597D+01  0.668200D+00  0.232733D+01
                46            47            48            49            50 
      1   0.196938D+02  0.347165D+01 -0.145616D+01  0.220719D+02  0.803805D+01
      2   0.347165D+01 -0.357132D+00  0.823596D-01  0.803805D+01  0.580295D+01
      3  -0.145616D+01  0.823596D-01 -0.597534D+00  0.358852D-01  0.342954D+00
                51            52            53            54            55 
      1   0.358852D-01  0.178837D+01  0.172849D+01 -0.459798D+00 -0.689231D+01
      2   0.342954D+00  0.172849D+01  0.114942D+01  0.711278D+00 -0.341425D+01
      3  -0.213081D+00 -0.459798D+00  0.711278D+00  0.602467D+00 -0.482802D+00
                56            57            58            59            60 
      1  -0.341425D+01 -0.482802D+00 -0.232573D+02 -0.930563D+01  0.426823D+00
      2  -0.153064D+01 -0.430920D+00 -0.930563D+01 -0.110722D+02 -0.707952D+00
      3  -0.430920D+00 -0.495943D+00  0.426823D+00 -0.707952D+00 -0.159277D+01
                61            62            63            64            65 
      1  -0.543470D+01 -0.191512D+01 -0.170672D+01 -0.593375D+01  0.200453D+01
      2  -0.191512D+01 -0.111859D+01 -0.279559D+01  0.200453D+01  0.311414D+01
      3  -0.170672D+01 -0.279559D+01 -0.130846D+01 -0.239306D+01  0.266534D+01
                66            67            68            69            70 
      1  -0.239306D+01  0.157383D+01  0.255165D+01  0.289602D+01 -0.425921D+01
      2   0.266534D+01  0.255165D+01  0.358720D+01 -0.151758D+00  0.287235D+01
      3  -0.284768D+01  0.289602D+01 -0.151758D+00 -0.166049D+01 -0.384113D+01
                71            72            73            74            75 
      1   0.287235D+01 -0.384113D+01 -0.204775D+01 -0.223612D+01  0.174310D+01
      2  -0.476014D+00 -0.835731D+00 -0.223612D+01  0.186585D+01 -0.721693D+00
      3  -0.835731D+00  0.409859D+01  0.174310D+01 -0.721693D+00 -0.284284D+01
                76            77            78            79            80 
      1  -0.337863D+01  0.256634D+01 -0.162758D+01  0.188425D+00 -0.118319D+01
      2   0.256634D+01  0.591215D+01 -0.325922D+00 -0.118319D+01 -0.100915D+01
      3  -0.162758D+01 -0.325922D+00 -0.168234D+01 -0.467074D+01 -0.219276D+01
                81            82            83            84            85 
      1  -0.467074D+01 -0.315351D+01  0.208086D+01 -0.237133D+01  0.223180D+01
      2  -0.219276D+01  0.208086D+01  0.181207D+01  0.157986D+01  0.231718D+01
      3  -0.146436D+01 -0.237133D+01  0.157986D+01  0.983766D+00  0.128372D+01
                86            87            88            89            90 
      1   0.231718D+01  0.128372D+01 -0.213104D+01  0.190141D+01  0.137274D+01
      2  -0.817268D+00  0.307129D+01  0.190141D+01  0.426999D+01 -0.248472D+01
      3   0.307129D+01 -0.221380D+01  0.137274D+01 -0.248472D+01 -0.452100D+00
                91            92            93            94            95 
      1   0.252073D+01  0.437426D+01  0.724304D+00  0.739617D+01  0.252456D+01
      2   0.437426D+01  0.733955D+00 -0.162782D+01  0.252456D+01 -0.387265D+01
      3   0.724304D+00 -0.162782D+01 -0.124892D+01 -0.173367D+01  0.867382D+00
                96            97            98            99           100 
      1  -0.173367D+01  0.156727D+01 -0.167942D+01  0.577472D-01  0.657452D+01
      2   0.867382D+00 -0.167942D+01  0.134972D+01 -0.376487D+01  0.181259D+01
      3  -0.309520D+01  0.577472D-01 -0.376487D+01 -0.329957D+01 -0.272902D+01
               101           102           103           104           105 
      1   0.181259D+01 -0.272902D+01  0.841819D+00  0.111449D+01 -0.331180D+00
      2   0.137437D+01 -0.572255D+00  0.111449D+01  0.380521D+00 -0.705145D+00
      3  -0.572255D+00  0.210804D+01 -0.331180D+00 -0.705145D+00  0.536545D+00
               106           107           108           109           110 
      1  -0.454602D+01 -0.860312D+00  0.303576D+01  0.291007D+01  0.160797D+01
      2  -0.860312D+00 -0.139896D+01  0.116116D+01  0.160797D+01  0.812181D+00
      3   0.303576D+01  0.116116D+01 -0.267437D+01  0.184108D+01  0.861835D+00
               111           112           113           114           115 
      1   0.184108D+01  0.950876D+00  0.131795D+01  0.104543D+01  0.384435D+01
      2   0.861835D+00  0.131795D+01  0.153757D+01  0.153691D+01  0.185992D+01
      3   0.194101D+01  0.104543D+01  0.153691D+01  0.149056D+01  0.386686D+01
               116           117           118           119           120 
      1   0.185992D+01  0.386686D+01  0.530415D+01 -0.813800D+00 -0.186524D+01
      2   0.246572D+01  0.227136D+01 -0.813800D+00  0.542353D+00  0.202670D-01
      3   0.227136D+01  0.547296D+01 -0.186524D+01  0.202670D-01  0.177563D+01
               121           122           123           124           125 
      1  -0.432893D+01  0.890151D+00 -0.447955D-02 -0.338265D+01 -0.249929D+00
      2   0.890151D+00 -0.100739D+00 -0.106154D+01 -0.249929D+00 -0.113764D+01
      3  -0.447955D-02 -0.106154D+01 -0.924421D+00  0.338303D+01 -0.804648D+00
               126           127           128           129           130 
      1   0.338303D+01 -0.219232D+01  0.403761D+00  0.121491D+01  0.328284D+00
      2  -0.804648D+00  0.403761D+00 -0.160206D+01 -0.790411D+00 -0.108534D+01
      3  -0.859727D+01  0.121491D+01 -0.790411D+00 -0.131288D+01 -0.553751D+00
               131           132           133           134           135 
      1  -0.108534D+01 -0.553751D+00  0.189043D+01 -0.730479D+00 -0.106880D+01
      2   0.212374D+01  0.823557D+00 -0.730479D+00  0.170594D+01  0.171160D+01
      3   0.823557D+00  0.110698D+01 -0.106880D+01  0.171160D+01  0.298178D+01
               136           137           138           139           140 
      1   0.676962D+00  0.110970D+01 -0.478412D+00  0.381147D+00  0.140549D+00
      2   0.110970D+01 -0.980357D-01 -0.692511D-01  0.140549D+00  0.731576D+01
      3  -0.478412D+00 -0.692511D-01 -0.124467D+00 -0.151866D+00 -0.343811D+01
               141           142           143           144           145 
      1  -0.151866D+00 -0.967602D+00 -0.336764D+00 -0.231096D+00 -0.183856D+01
      2  -0.343811D+01 -0.336764D+00 -0.474581D+01  0.345048D+01 -0.184823D+01
      3   0.240509D+01 -0.231096D+00  0.345048D+01 -0.330543D+01  0.716990D+00
               146           147           148           149           150 
      1  -0.184823D+01  0.716990D+00 -0.180022D+01 -0.208256D+01  0.715836D-01
      2  -0.259320D+01  0.410146D+00 -0.208256D+01 -0.582980D+01  0.140416D+01
      3   0.410146D+00 -0.624085D+00  0.715836D-01  0.140416D+01 -0.147551D+01
               151           152           153           154           155 
      1   0.138441D+00 -0.178353D+00 -0.158646D+00 -0.205286D+01  0.981026D+00
      2  -0.178353D+00  0.147540D+00 -0.787244D+00  0.981026D+00 -0.149310D+01
      3  -0.158646D+00 -0.787244D+00  0.295247D+00  0.151881D+01 -0.677427D+00
               156           157           158           159           160 
      1   0.151881D+01  0.141650D+01 -0.144528D+01 -0.864596D+00  0.135026D+01
      2  -0.677427D+00 -0.144528D+01  0.227082D+01  0.118282D+01 -0.757149D+00
      3  -0.143824D+01 -0.864596D+00  0.118282D+01  0.234034D+01 -0.774082D+00
               161           162           163           164           165 
      1  -0.757149D+00 -0.774082D+00  0.534967D+01 -0.140778D+01  0.365801D+01
      2   0.103666D+01  0.122835D+01 -0.140778D+01  0.111391D+01 -0.136556D+01
      3   0.122835D+01  0.266719D+01  0.365801D+01 -0.136556D+01  0.417045D+01
               166           167           168           169           170 
      1  -0.594095D+00  0.772830D+00 -0.776456D+00  0.253782D+01 -0.104616D+01
      2   0.772830D+00 -0.116630D+01  0.129628D+01 -0.104616D+01  0.102537D+01
      3  -0.776456D+00  0.129628D+01 -0.705639D+00  0.327658D+01 -0.119343D+01
               171           172           173           174           175 
      1   0.327658D+01  0.256153D+01 -0.123841D+00 -0.177643D+01  0.102479D+01
      2  -0.119343D+01 -0.123841D+00  0.251285D-01 -0.247897D+00 -0.406077D-01
      3   0.475804D+01 -0.177643D+01 -0.247897D+00  0.218438D+01 -0.816219D+00
               176           177           178           179           180 
      1  -0.406077D-01 -0.816219D+00 -0.238960D+01  0.783770D-01  0.325005D+01
      2   0.501666D+00 -0.905498D+00  0.783770D-01 -0.134249D+01  0.382025D-01
      3  -0.905498D+00  0.140604D+01  0.325005D+01  0.382025D-01 -0.688595D+01
               181           182           183           184           185 
      1  -0.118976D+01 -0.125787D+01  0.617638D-01 -0.153976D+01 -0.727527D+00
      2  -0.125787D+01 -0.322866D+01 -0.779844D+00 -0.727527D+00 -0.797528D+01
      3   0.617638D-01 -0.779844D+00 -0.551490D+00 -0.255074D+00 -0.124822D+01
               186           187           188           189           190 
      1  -0.255074D+00  0.363144D+00 -0.458115D+00  0.131644D+00  0.822475D+01
      2  -0.124822D+01 -0.458115D+00 -0.849265D+00 -0.118074D+01 -0.309505D+01
      3  -0.110359D+01  0.131644D+00 -0.118074D+01 -0.947268D+00  0.213111D+01
               191           192           193           194           195 
      1  -0.309505D+01  0.213111D+01 -0.150179D+01  0.169388D+01 -0.795161D+00
      2   0.175998D+01 -0.852175D+00  0.169388D+01 -0.188631D+01  0.671004D+00
      3  -0.852175D+00  0.186336D+01 -0.795161D+00  0.671004D+00 -0.266891D+00
               196           197           198           199           200 
      1   0.462134D+01 -0.191314D+01  0.241919D+01  0.415148D+00 -0.900356D+00
      2  -0.191314D+01  0.172190D+01 -0.768713D+00 -0.900356D+00 -0.383463D+00
      3   0.241919D+01 -0.768713D+00  0.173690D+01 -0.585979D+00 -0.115147D+00
               201           202           203           204           205 
      1  -0.585979D+00 -0.165685D+01 -0.685995D-01  0.207166D+00 -0.186067D+01
      2  -0.115147D+00 -0.685995D-01 -0.565285D+01 -0.164967D+01  0.318269D+00
      3  -0.975932D-01  0.207166D+00 -0.164967D+01 -0.151917D+01 -0.837444D+00
               206           207           208           209           210 
      1   0.318269D+00 -0.837444D+00 -0.840838D+00  0.135761D+01  0.578221D+00
      2  -0.128042D+01 -0.112844D+01  0.135761D+01  0.253560D+00 -0.111940D+00
      3  -0.112844D+01 -0.734192D+00  0.578221D+00 -0.111940D+00 -0.117915D+00
               211           212           213           214           215 
      1   0.216904D+01 -0.373788D+00 -0.313148D+00  0.743205D+00 -0.492107D+00
      2  -0.373788D+00  0.592832D+01  0.110173D+01 -0.492107D+00  0.133579D+01
      3  -0.313148D+00  0.110173D+01  0.988773D+00  0.300482D+00  0.649552D+00
               216           217           218           219           220 
      1   0.300482D+00 -0.246715D+01  0.662481D+00 -0.883943D+00  0.280237D+01
      2   0.649552D+00  0.662481D+00 -0.714444D+00  0.592881D+00 -0.289399D+01
      3   0.203818D+00 -0.883943D+00  0.592881D+00 -0.216268D+00  0.488374D+00
               221           222           223           224           225 
      1  -0.289399D+01  0.488374D+00 -0.236596D+01  0.152980D+01 -0.106147D+01
      2   0.614770D+01 -0.182159D+01  0.152980D+01 -0.290910D+01  0.241110D+01
      3  -0.182159D+01  0.225491D+01 -0.106147D+01  0.241110D+01 -0.202845D+01
               226           227           228           229           230 
      1  -0.488403D+00 -0.339118D+00  0.768247D+00  0.911890D+00 -0.108831D+01
      2  -0.339118D+00  0.524415D+00  0.608905D+00 -0.108831D+01  0.266463D+01
      3   0.768247D+00  0.608905D+00  0.984947D+00 -0.262101D+00  0.179218D+01
               231           232           233           234           235 
      1  -0.262101D+00  0.272303D+01 -0.498868D+00 -0.123630D+01 -0.966490D+01
      2   0.179218D+01 -0.498868D+00  0.201505D+01  0.284091D+01 -0.209330D+01
      3   0.229775D+01 -0.123630D+01  0.284091D+01  0.700377D+01  0.780212D+00
               236           237           238           239           240 
      1  -0.209330D+01  0.780212D+00 -0.450178D+01 -0.193609D+01  0.614053D+00
      2  -0.144554D+01  0.333389D+00 -0.193609D+01 -0.147112D+01  0.810623D-01
      3   0.333389D+00 -0.110802D+01  0.614053D+00  0.810623D-01 -0.562152D+00
               241           242           243 
      1   0.425305D+00  0.340956D+00 -0.135526D+01
      2   0.340956D+00 -0.845775D-01 -0.966247D-01
      3  -0.135526D+01 -0.966247D-01  0.638476D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.246945D+01  0.104809D+02  0.170125D+01  0.107810D+02  0.390608D+01
      2  -0.699074D+01  0.548442D+00  0.542908D+01  0.201491D+01 -0.107212D+02
      3  -0.108532D+01 -0.101463D+02  0.876471D+00 -0.519008D+01 -0.786256D+01
                 6             7             8             9            10 
      1  -0.806562D+01  0.201942D+01 -0.121118D+01 -0.325675D+01  0.654340D+01
      2  -0.737475D+01 -0.129529D+01 -0.625736D+01  0.690313D+01  0.245401D+02
      3  -0.398855D+00 -0.126263D+01 -0.631959D+00  0.431394D+01  0.419108D+01
                11            12            13            14            15 
      1  -0.523008D+01  0.219001D+01 -0.440495D+01 -0.200496D+00 -0.390586D+01
      2  -0.728108D+01  0.123682D+02 -0.147739D+02  0.501970D+01  0.244409D+01
      3   0.519114D+01  0.192712D+01  0.124690D+02  0.157297D+02 -0.105277D+01
                16            17            18            19            20 
      1   0.107534D+01  0.584148D+01 -0.818599D+00 -0.801644D+01  0.344915D+01
      2   0.137592D+02  0.208870D+01 -0.296949D+01 -0.269707D+02  0.419748D+01
      3   0.414788D+01  0.202123D+00 -0.383184D+01 -0.556420D+01 -0.509295D+01
                21            22            23            24            25 
      1  -0.231191D+01  0.232467D+01  0.596613D+01 -0.122606D+01 -0.142813D+01
      2   0.713350D+00  0.114434D+02 -0.450754D+01  0.422505D+01 -0.188675D+02
      3   0.818946D+00  0.940609D+01 -0.103746D+01  0.892338D+00  0.991934D+00
                26            27            28            29            30 
      1   0.435980D+01 -0.354708D+01  0.728918D+01 -0.878450D+00  0.156389D+01
      2   0.351014D+01 -0.352384D+01  0.308754D+02 -0.381888D-01 -0.716778D+01
      3   0.855996D+00 -0.139786D+01  0.125541D+02  0.296956D+01 -0.272601D+01
                31            32            33            34            35 
      1   0.161704D+01 -0.367027D+01 -0.606640D+00 -0.163965D+01  0.275240D+01
      2  -0.669675D+01  0.127133D+01  0.581351D+00 -0.373847D+02 -0.745082D+00
      3   0.105876D+02  0.999346D+00 -0.426773D+00 -0.728609D+01 -0.206731D+01
                36            37            38            39            40 
      1   0.262343D+01 -0.281161D+01  0.924528D-01 -0.562148D-02  0.272586D+01
      2   0.827769D+01 -0.292451D+02 -0.238850D+01  0.113558D+02  0.615716D+01
      3   0.170670D+01 -0.223306D+02 -0.114704D+02  0.294857D+01  0.103138D+02
                41            42            43            44            45 
      1  -0.711326D+00 -0.104094D+00  0.852743D+01  0.472302D+01 -0.114821D+01
      2   0.812150D-01 -0.616968D+00  0.174217D+02 -0.171086D+01 -0.876842D+01
      3  -0.500420D+01 -0.328917D+01  0.793048D+01 -0.936374D+00 -0.702001D+00
                46            47            48            49            50 
      1  -0.909931D+00  0.260276D+01 -0.219683D+01  0.347324D+01 -0.170326D+01
      2   0.472712D+01  0.541721D+01 -0.124800D+02  0.107613D+02  0.133917D+01
      3   0.666608D+01  0.283205D+01 -0.256797D+01  0.380621D+02  0.251961D+02
                51            52            53            54            55 
      1   0.420698D+01  0.342267D+01  0.733921D+01  0.360316D+01  0.202191D+01
      2  -0.837959D+01 -0.255494D+02 -0.495568D+00  0.459799D+01 -0.572077D+00
      3  -0.148414D+01 -0.441117D+00  0.398011D+01  0.195912D+01 -0.361199D+01
                56            57            58            59            60 
      1  -0.342545D+00  0.213414D+00 -0.985114D+00  0.267338D+00 -0.918695D+01
      2  -0.549910D+00  0.770959D+01 -0.975123D+01 -0.806402D+00  0.127464D+02
      3  -0.813878D+01 -0.998850D+00 -0.211797D+02 -0.415516D+02 -0.188123D+01
                61            62            63            64            65 
      1   0.411259D+00  0.119280D+01 -0.229957D+01 -0.523182D+01  0.355371D+01
      2   0.626870D+01  0.665546D+01  0.282830D+01 -0.107541D+02  0.106252D+02
      3  -0.389778D+01 -0.553219D+01 -0.762076D+01  0.186777D+01 -0.174979D+02
                66            67            68            69            70 
      1  -0.740327D+01  0.393124D+01 -0.325524D+01 -0.456841D+01 -0.104114D+02
      2  -0.895264D+01  0.981507D+01  0.752563D+00 -0.331756D+01 -0.176207D+02
      3  -0.572119D+01 -0.685792D+01 -0.193802D+02 -0.468073D+01 -0.478444D+01
                71            72            73            74            75 
      1   0.184730D+01  0.845765D+01 -0.455576D+01  0.348032D+01  0.394869D+01
      2   0.122353D+00  0.114093D+02  0.288923D+01 -0.137579D+01 -0.849340D+01
      3  -0.463948D+01  0.919188D+01  0.837543D+01 -0.153984D+02  0.763563D+01
                76            77            78            79            80 
      1   0.265083D+01  0.348517D+01  0.392227D+00  0.788072D+01  0.662739D+01
      2  -0.499316D+01 -0.164830D+01 -0.599356D+01 -0.215146D+02 -0.852138D+01
      3  -0.864470D+01 -0.160933D+02 -0.202197D+00  0.836798D+01 -0.936491D+00
                81            82            83            84            85 
      1   0.205926D+01  0.549841D+01 -0.582748D+01 -0.287430D+01 -0.836727D+01
      2  -0.579730D+01 -0.474618D+01  0.256492D+01  0.283562D+01  0.465113D+01
      3   0.159502D+01 -0.113648D+02 -0.841667D+00 -0.875512D+01  0.749053D+01
                86            87            88            89            90 
      1  -0.105200D+02  0.102382D+01 -0.230292D+01  0.855622D+01  0.131371D+01
      2   0.413361D+01 -0.136587D+01 -0.169698D+01 -0.228300D+00 -0.137597D+00
      3   0.513680D+01  0.106516D+01 -0.114671D+02  0.327291D+00  0.652079D+01
                91            92            93            94            95 
      1   0.103240D+01  0.143950D+01  0.245311D+01  0.421039D+01 -0.326453D+01
      2  -0.465660D+01  0.543613D+01  0.121837D+02  0.690717D+01 -0.541896D+01
      3   0.195781D+02  0.250051D+01 -0.598886D+01  0.185393D+02 -0.140584D+02
                96            97            98            99           100 
      1   0.564979D+00 -0.576716D+01  0.879855D+01  0.166017D+01  0.392108D+01
      2   0.121327D+02 -0.945453D+01  0.212790D+02  0.153770D+02 -0.834609D+01
      3   0.210620D+01 -0.610650D+01  0.560308D+01 -0.165780D+02  0.408551D+01
               101           102           103           104           105 
      1  -0.131755D+00 -0.348046D+01  0.363832D+00  0.794969D+00 -0.165587D+01
      2  -0.158227D+01  0.883539D+01 -0.128305D+01 -0.201991D+01  0.187583D+01
      3  -0.363412D+01 -0.213988D+01 -0.479340D+00  0.808883D+00  0.186325D+01
               106           107           108           109           110 
      1  -0.404807D+01  0.982933D-01  0.417733D+01 -0.210524D+01 -0.270063D+00
      2   0.725338D+01  0.315737D+01 -0.903993D+01  0.343557D+01  0.230151D+01
      3  -0.381406D+01  0.460336D+01  0.689358D+00  0.103837D+00 -0.180711D+01
               111           112           113           114           115 
      1  -0.292953D+01 -0.159211D+01 -0.128405D+01 -0.275673D+01 -0.477145D+01
      2   0.703066D+01  0.198001D+01  0.477143D+01  0.486715D+01  0.907722D+01
      3  -0.214393D+00 -0.228641D+00 -0.301559D+01 -0.304186D+01 -0.285854D+00
               116           117           118           119           120 
      1   0.430062D+00 -0.818453D+01  0.109324D+01 -0.150777D+01 -0.516409D+00
      2   0.661993D+01  0.174853D+02  0.406271D+01 -0.133199D+01  0.880968D+00
      3  -0.663848D+01 -0.179283D+01  0.145653D+01 -0.169680D+01 -0.655032D+00
               121           122           123           124           125 
      1  -0.273580D+01  0.104514D+00  0.801241D+00  0.859597D+00  0.385613D+01
      2  -0.473376D+01  0.471404D+00 -0.612754D+00 -0.330899D+01 -0.892207D+00
      3   0.977124D+00 -0.168404D+00  0.641753D+00 -0.796234D+00  0.146156D+01
               126           127           128           129           130 
      1   0.333807D+01 -0.337151D+01  0.176001D+01  0.398438D+01  0.173156D+01
      2  -0.452698D+01  0.270799D+01 -0.845525D+00 -0.358279D+00 -0.979603D+00
      3   0.120540D+01 -0.870417D+01  0.167276D+01  0.498228D+01  0.344568D+01
               131           132           133           134           135 
      1  -0.185594D+01 -0.370800D+01  0.317653D+01 -0.220239D+01 -0.858991D+01
      2   0.102078D+01  0.885991D+00 -0.327576D+01  0.183992D+01  0.260768D+01
      3  -0.557641D+01 -0.276816D+01  0.750496D+01 -0.384842D+01 -0.620559D+01
               136           137           138           139           140 
      1   0.302771D+00  0.428994D+00  0.582653D+00 -0.261076D+00  0.377192D+01
      2  -0.930439D-01  0.326429D+00  0.393672D+00  0.870392D+00 -0.332991D+01
      3  -0.138225D+01  0.149431D+01 -0.699683D+00  0.454746D+01 -0.102541D+02
               141           142           143           144           145 
      1  -0.632747D+01  0.816754D+00 -0.395642D+01  0.688490D+01 -0.334148D+01
      2   0.240758D+01 -0.230720D+01  0.349848D+01 -0.360225D+01  0.645995D+01
      3   0.461658D+01 -0.241868D+01  0.567630D+01 -0.569293D+01  0.739383D+01
               146           147           148           149           150 
      1  -0.543657D+01 -0.111350D+01 -0.495628D+01 -0.971795D+01 -0.175343D+01
      2   0.454558D+01 -0.121222D+01  0.497006D+01  0.758560D+01 -0.166990D+01
      3   0.538056D+01 -0.130129D+01  0.837252D+01  0.110793D+02 -0.247704D+01
               151           152           153           154           155 
      1  -0.836270D+00  0.383456D+00 -0.143035D+01  0.422903D+01 -0.534592D+01
      2  -0.179228D+01 -0.968595D+00  0.747451D+00  0.976171D+01 -0.417305D+01
      3   0.676191D+00  0.187332D+00  0.165638D+01 -0.184489D+00  0.170997D+00
               156           157           158           159           160 
      1  -0.209776D+01 -0.471800D+01  0.777332D+01  0.237053D+01 -0.241587D+01
      2  -0.409347D+01 -0.597964D+01  0.595043D+01  0.525416D+01 -0.566615D+01
      3  -0.167778D+00  0.262846D+01 -0.106758D+01 -0.869840D+00  0.498044D+00
               161           162           163           164           165 
      1   0.448251D+01  0.404817D+01  0.101839D+01  0.186377D+01  0.196126D+01
      2   0.387545D+01  0.553216D+01 -0.367771D+01 -0.430515D+00  0.342998D+01
      3  -0.716387D-01 -0.101959D+01 -0.206180D+01 -0.265717D+01 -0.260320D+00
               166           167           168           169           170 
      1   0.411740D+00 -0.972945D+00  0.457418D+00  0.117878D+01  0.254731D+01
      2   0.732120D+00  0.136490D+01  0.274153D+00 -0.268232D+01  0.196019D-01
      3   0.231384D+00  0.179050D+01 -0.143704D+01 -0.157505D+01 -0.170863D+01
               171           172           173           174           175 
      1   0.292977D+01 -0.284288D+01 -0.115340D+01  0.405990D+01 -0.867251D+00
      2   0.349069D+01 -0.344155D+01 -0.776902D+00  0.685604D+01 -0.110845D+01
      3  -0.817102D+00 -0.301629D+01 -0.936706D+00  0.359446D+01 -0.769460D-01
               176           177           178           179           180 
      1  -0.259425D+01  0.207346D+01  0.494219D+01  0.424277D+01 -0.113973D+02
      2  -0.295291D+01  0.419376D+01  0.578333D+01  0.714020D+00 -0.201049D+02
      3  -0.203216D+01  0.389583D+01  0.340679D+01  0.549026D+01 -0.510706D+01
               181           182           183           184           185 
      1   0.911213D+00  0.484300D+00 -0.148772D+01  0.326876D+00  0.250359D+01
      2  -0.120136D+01 -0.305476D+01 -0.541404D+00 -0.220108D+01 -0.457193D+01
      3   0.849704D+01  0.118327D+02  0.230122D+01  0.841986D+01  0.272866D+02
               186           187           188           189           190 
      1  -0.369620D+01  0.331755D+00 -0.263107D+00 -0.137026D+01  0.540883D+01
      2  -0.285890D+01 -0.501959D+00 -0.356239D+01 -0.251575D+01  0.104250D+02
      3   0.458650D+01  0.163501D+01  0.385673D+01  0.350455D+01 -0.387949D+01
               191           192           193           194           195 
      1  -0.189968D+01  0.459278D+01 -0.243751D+01  0.188260D+01 -0.184056D+01
      2  -0.441707D+01  0.997332D+01 -0.374005D+01  0.317014D+01 -0.186291D+01
      3  -0.328940D+01 -0.701502D+00 -0.708885D+00  0.395869D+01 -0.733045D+00
               196           197           198           199           200 
      1   0.456070D+01 -0.525674D+00  0.365517D+01 -0.729288D+00  0.545894D+00
      2   0.868851D+01 -0.305490D+01  0.796940D+01  0.664731D+00 -0.614027D+00
      3  -0.504212D+00 -0.364547D+01 -0.134727D+01  0.959125D+00  0.548871D-01
               201           202           203           204           205 
      1  -0.819416D+00  0.120285D+01  0.542684D+01 -0.248296D+01 -0.614576D+01
      2   0.970780D-01 -0.183355D+01 -0.483245D+00  0.142320D+01 -0.177527D+01
      3  -0.112002D+00  0.421052D+01 -0.298700D+01  0.220620D+00  0.145295D+01
               206           207           208           209           210 
      1   0.120199D+01  0.487318D+00 -0.172010D+01  0.125940D+00  0.183159D+00
      2   0.951807D+00 -0.702777D-01 -0.378706D+01  0.224459D+00  0.571647D+00
      3  -0.124796D+00 -0.123690D+01  0.359992D+01  0.181720D+01  0.217723D+00
               211           212           213           214           215 
      1   0.176837D+01 -0.914686D+00 -0.376703D+01 -0.608229D+01  0.346350D+00
      2   0.236137D+01 -0.297295D+01 -0.258109D+01 -0.952324D+01 -0.147791D+01
      3   0.469229D+01  0.113010D+02  0.210767D+01  0.924043D+00  0.228541D+01
               216           217           218           219           220 
      1   0.589255D-01  0.394624D+00 -0.736101D+00  0.618075D+00 -0.236011D+01
      2   0.561722D+00  0.197562D+01 -0.226204D+01  0.256013D+01 -0.385873D+01
      3   0.138329D+01  0.106832D+01 -0.328594D+01  0.170135D+01 -0.771027D+01
               221           222           223           224           225 
      1   0.465315D+01 -0.430560D+01  0.247673D+01 -0.282504D+01  0.347647D+01
      2   0.101403D+02 -0.962112D+01  0.690214D+01 -0.120534D+02  0.872703D+01
      3   0.236929D+02 -0.756530D+01  0.403037D+01 -0.116640D+02  0.953171D+01
               226           227           228           229           230 
      1   0.246020D+00 -0.342800D+00 -0.106029D+01 -0.362695D-01 -0.435749D-01
      2  -0.111714D+01 -0.372450D+01 -0.520882D+01 -0.117545D-01 -0.800076D+01
      3  -0.253223D+00  0.821058D+00  0.300986D+01 -0.226703D+01  0.984765D+01
               231           232           233           234           235 
      1  -0.208352D+01  0.152380D+01 -0.641310D-01 -0.529367D+01 -0.180499D+01
      2  -0.992223D+01  0.349362D+01 -0.133191D+02 -0.308561D+02  0.502125D+00
      3   0.723917D+01  0.120797D+01  0.784192D+01  0.110276D+02 -0.153672D+02
               236           237           238           239           240 
      1  -0.120506D+01  0.244476D+00 -0.122550D+01 -0.868659D+00 -0.731348D+00
      2  -0.299721D+00  0.616551D+01 -0.719431D+00  0.361526D+00  0.286582D+01
      3  -0.100478D+02  0.195574D+01 -0.898573D+01 -0.832595D+01  0.499042D+00
               241           242           243 
      1   0.105452D+01  0.624695D+00 -0.396761D+00
      2   0.350458D+01  0.542284D+00 -0.202801D+01
      3   0.186518D+01  0.737778D-01 -0.935994D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.578649D+01  0.461803D+01 -0.749292D+01  0.264617D+01  0.190380D+02
      2   0.680801D+01 -0.176292D+02  0.117826D+02 -0.145809D+02 -0.122338D+02
      3  -0.125945D+02  0.130112D+02 -0.428965D+01  0.119347D+02 -0.680423D+01
      4   0.723168D+01  0.760658D+01  0.123895D+02  0.920989D+01 -0.761381D+00
      5  -0.208779D+02  0.116332D+02 -0.254833D+02  0.112949D+02  0.414173D+01
      6   0.688028D+01  0.682570D+01  0.116407D+02  0.744768D+01  0.640399D+01
                 6             7             8             9            10 
      1   0.948651D+01 -0.468930D+01  0.119781D+02 -0.173225D+02 -0.188377D+00
      2   0.293796D+00  0.909907D+01 -0.223255D+01  0.964844D+01 -0.252157D+01
      3  -0.978031D+01 -0.440977D+01 -0.974553D+01  0.767403D+01  0.270995D+01
      4  -0.630170D+01  0.146638D+02 -0.648093D+01  0.299590D+01 -0.186090D+02
      5   0.107858D+01 -0.247693D+02  0.520903D+01 -0.858576D+01  0.954133D+01
      6  -0.285053D+01  0.113209D+02 -0.193076D+01 -0.568388D+01 -0.746391D+01
                11            12            13            14            15 
      1  -0.703269D+01  0.218731D+01  0.122863D+01 -0.225866D+02 -0.928229D+01
      2   0.954131D+01 -0.150955D+01  0.141674D+01  0.973510D+01  0.215087D+01
      3  -0.250862D+01 -0.677755D+00 -0.264538D+01  0.128515D+02  0.713142D+01
      4  -0.139444D+02 -0.124599D+02 -0.150098D+02 -0.219730D+02  0.597171D+01
      5  -0.106817D+02  0.133358D+02 -0.114617D+02  0.643628D+00  0.600263D+01
      6   0.616001D+01 -0.229960D+01  0.224606D+01 -0.911323D+01 -0.148084D+01
                16            17            18            19            20 
      1   0.365404D+01 -0.151572D+02  0.151117D+02  0.289321D+02  0.961885D+01
      2   0.355015D+01  0.543406D+01 -0.102157D+02 -0.113898D+02 -0.973546D+01
      3  -0.720419D+01  0.972316D+01 -0.489596D+01 -0.175424D+02  0.116614D+00
      4  -0.210188D+02  0.110338D+02  0.150621D+01  0.225048D+02 -0.456279D+01
      5   0.201566D+02  0.234584D+01 -0.875765D+01  0.105212D+02  0.260487D+01
      6  -0.266816D+01 -0.110593D+01  0.764979D+01  0.752907D+01  0.113146D+01
                21            22            23            24            25 
      1  -0.506020D+01  0.538837D+01  0.246017D+01  0.341682D+01 -0.194578D+02
      2  -0.278665D+01 -0.554561D+01 -0.700223D+01 -0.147491D+01 -0.677089D+01
      3   0.784685D+01  0.157242D+00  0.454206D+01 -0.194192D+01  0.262287D+02
      4   0.465166D+01 -0.802605D+01 -0.331863D+01 -0.517637D+01  0.119829D+02
      5  -0.641760D+01  0.488435D+01 -0.118039D+01  0.338402D+01 -0.174125D+02
      6   0.581846D-01  0.176741D+01  0.378179D+01  0.294586D+01 -0.236917D+01
                26            27            28            29            30 
      1   0.756719D+01  0.105269D+02 -0.107072D+03 -0.153933D+01  0.868744D+01
      2  -0.520542D+01  0.134272D+02  0.411609D+02 -0.908933D+00 -0.223772D+01
      3  -0.236177D+01 -0.239541D+02  0.659111D+02  0.244826D+01 -0.644972D+01
      4  -0.898570D+01  0.326570D+01 -0.147950D+02 -0.743873D+01  0.196975D+01
      5   0.350803D+01  0.152563D+02 -0.947424D+01  0.184527D+01 -0.870119D+01
      6   0.327393D+01 -0.618218D+00 -0.690199D+01 -0.299604D+01  0.117263D+01
                31            32            33            34            35 
      1   0.379827D+02  0.308868D+01  0.228111D+01  0.372271D+02  0.610773D+01
      2  -0.168655D+02 -0.239680D+01 -0.180328D+01 -0.865844D+01 -0.447083D+01
      3  -0.211172D+02 -0.691888D+00 -0.477825D+00 -0.285687D+02 -0.163690D+01
      4   0.778081D+00 -0.355005D+01 -0.192978D+01  0.259941D+01  0.436719D+01
      5  -0.196890D+01 -0.291867D+01  0.160110D+01 -0.214609D+01 -0.158660D+01
      6  -0.120208D+01 -0.876398D+01 -0.175564D+01 -0.853860D+00  0.309256D+01
                36            37            38            39            40 
      1  -0.260618D+02  0.134593D+03  0.789326D+01 -0.126825D+02 -0.335775D+02
      2  -0.151502D+01 -0.481337D+02 -0.153223D+01  0.309123D+01  0.154664D+02
      3   0.275768D+02 -0.864596D+02 -0.636103D+01  0.959128D+01  0.181110D+02
      4  -0.198508D+01  0.243767D+02  0.182258D+02 -0.403521D+01  0.196755D+02
      5   0.915699D+01  0.577211D+01 -0.146128D+01  0.164326D+02 -0.124313D+01
      6  -0.286966D+01  0.736997D+01  0.253927D+01 -0.336861D+01  0.229723D+01
                41            42            43            44            45 
      1   0.880184D+01  0.701635D+01 -0.337912D+02  0.172140D+00  0.512678D+01
      2  -0.849784D+01 -0.258890D+01  0.146373D+02 -0.214865D+01 -0.704808D+01
      3  -0.304001D+00 -0.442745D+01  0.191538D+02  0.197651D+01  0.192130D+01
      4   0.719633D+01  0.324474D+01 -0.108079D+02  0.150557D+01 -0.206723D+01
      5   0.559001D+01 -0.561357D+01  0.237570D+02 -0.325461D+01 -0.525441D+01
      6  -0.265222D+01  0.413880D+01 -0.941984D+01  0.517985D+01 -0.768481D+00
                46            47            48            49            50 
      1  -0.623663D+02  0.317180D+01  0.380408D+01 -0.415020D+02 -0.165259D+02
      2   0.179960D+02 -0.476764D+01 -0.539055D+01  0.400554D+01 -0.472656D+01
      3   0.443703D+02  0.159583D+01  0.158648D+01  0.374965D+02  0.212525D+02
      4  -0.143166D+02 -0.179079D+02 -0.126160D+01 -0.645294D+02 -0.454453D+02
      5   0.314516D+01 -0.495777D+01 -0.143131D+02 -0.193500D+02 -0.694866D+01
      6  -0.941235D+01  0.168230D+01  0.226569D+01 -0.792885D+01 -0.508166D+01
                51            52            53            54            55 
      1  -0.272422D+01  0.339883D+01 -0.560413D+01 -0.356769D+01  0.348003D+02
      2   0.445563D+01 -0.519686D+01 -0.927916D+00 -0.313717D+01 -0.139737D+02
      3  -0.173141D+01  0.179803D+01  0.653205D+01  0.670486D+01 -0.208266D+02
      4  -0.147982D+01 -0.159542D+02 -0.470215D+01 -0.465615D+01  0.272317D+02
      5  -0.659792D+01 -0.316503D+00 -0.540440D+01  0.118594D+01  0.781418D+01
      6  -0.643700D+01  0.607396D+00  0.323662D+01 -0.455104D+01  0.239725D+01
                56            57            58            59            60 
      1   0.139355D+02  0.273146D+01  0.646335D+02  0.143432D+01 -0.384215D+01
      2  -0.365084D+01 -0.420274D+00 -0.146458D+02  0.304217D+02  0.523064D+00
      3  -0.102847D+02 -0.231119D+01 -0.499877D+02 -0.318560D+02  0.331908D+01
      4   0.243218D+02  0.354204D+01  0.699073D+02  0.804064D+02  0.600983D+01
      5   0.482538D+01  0.127166D+02  0.100055D+02  0.119003D+02  0.170968D+02
      6   0.151973D+01  0.217433D+01  0.898026D+01  0.611676D+01  0.146304D+02
                61            62            63            64            65 
      1   0.162433D+02  0.249264D+01 -0.456460D+00 -0.277301D+02  0.243957D+02
      2  -0.580173D+01 -0.564777D+00 -0.166789D+00  0.109330D+02 -0.223058D+02
      3  -0.104416D+02 -0.192786D+01  0.623249D+00  0.167971D+02 -0.208995D+01
      4   0.136551D+02  0.895329D+01  0.198978D+02  0.203963D+02  0.933231D+01
      5   0.209129D+02  0.197475D+02  0.997359D+01 -0.156458D+02  0.158981D+02
      6   0.933471D+01  0.135811D+02  0.610951D+01  0.101093D+02 -0.132546D+02
                66            67            68            69            70 
      1  -0.121544D+02  0.167676D+02  0.301949D+02  0.191900D+02 -0.192959D+02
      2  -0.388341D+01 -0.140220D+02 -0.266876D+02 -0.130118D+02 -0.282766D+01
      3   0.160378D+02 -0.274555D+01 -0.350739D+01 -0.617827D+01  0.221236D+02
      4   0.203876D+02  0.103708D+02  0.583048D+01 -0.736364D+01  0.259116D+02
      5  -0.184895D+02  0.177834D+02 -0.533617D+01 -0.109814D+02 -0.246191D+02
      6   0.579960D+01 -0.109591D+02 -0.210686D+01  0.295291D+01  0.777543D+01
                71            72            73            74            75 
      1   0.216109D+02 -0.234922D+02  0.119940D+01 -0.136913D+02  0.212883D+02
      2  -0.127421D+02  0.233933D+02 -0.216018D+01  0.103413D+02 -0.121609D+02
      3  -0.886875D+01  0.989550D-01  0.960782D+00  0.335002D+01 -0.912739D+01
      4  -0.105060D+02  0.893310D+00 -0.113200D+02  0.195954D+01  0.353091D+01
      5  -0.555353D+01  0.273445D+02  0.116357D+02 -0.232580D+01 -0.201967D+02
      6   0.282133D+01 -0.560086D+01  0.503527D+01 -0.601924D+01 -0.741686D+01
                76            77            78            79            80 
      1  -0.174861D+02  0.123382D+02 -0.478312D+01  0.236880D+02 -0.437930D-02
      2   0.169472D+02  0.207969D+01  0.418185D+01 -0.133478D+02  0.276389D+00
      3   0.538895D+00 -0.144179D+02  0.601272D+00 -0.103402D+02 -0.272010D+00
      4   0.989524D+01  0.362313D+02 -0.405069D+01 -0.621434D+00 -0.875034D+01
      5  -0.866539D+01  0.202094D+01 -0.123836D+02 -0.326867D+02 -0.160032D+02
      6  -0.337847D+01  0.829542D+00 -0.488092D+01 -0.135926D+02 -0.710152D+01
                81            82            83            84            85 
      1  -0.196786D+02 -0.172337D+02 -0.160608D+01 -0.142388D+02 -0.962620D+00
      2   0.130236D+02  0.149327D+02  0.702170D+01  0.131851D+02  0.433183D+01
      3   0.665506D+01  0.230104D+01 -0.541562D+01  0.105377D+01 -0.336921D+01
      4  -0.210673D+02 -0.531749D+00  0.940542D+01 -0.439114D+01  0.880063D+01
      5  -0.108535D+02 -0.674340D+01  0.226445D+01  0.168475D+01  0.503104D+01
      6  -0.901631D+01 -0.104888D+02  0.541729D+01  0.378125D+01  0.317606D+01
                86            87            88            89            90 
      1   0.978551D+01 -0.682341D+01 -0.164338D+02 -0.121889D+02  0.140802D+02
      2  -0.453238D+01  0.105901D+02  0.154386D+02  0.187314D+02 -0.158482D+02
      3  -0.525313D+01 -0.376665D+01  0.995111D+00 -0.654248D+01  0.176804D+01
      4  -0.158920D+01  0.124698D+02 -0.318528D+01  0.177884D+02 -0.110671D+01
      5   0.656483D+01 -0.319040D+01  0.323164D+01 -0.414806D+01  0.648220D+00
      6   0.173314D+02 -0.137222D+02  0.440093D+01 -0.186360D+02  0.265116D+01
                91            92            93            94            95 
      1  -0.287803D+02 -0.347585D+02  0.434753D+00 -0.523971D+02 -0.133032D+02
      2   0.166139D+02  0.190276D+02  0.162486D+01  0.286614D+02  0.373306D+01
      3   0.121664D+02  0.157309D+02 -0.205961D+01  0.237357D+02  0.957013D+01
      4  -0.402531D+02 -0.579180D-01  0.137161D+02 -0.168501D+02  0.276016D+02
      5  -0.500004D+01  0.149550D+02  0.128583D+02  0.167758D+02 -0.950891D+01
      6   0.582999D+01 -0.346665D+01 -0.547273D+01 -0.347216D+01  0.533091D+01
                96            97            98            99           100 
      1   0.149368D+02 -0.866042D+01  0.154973D+02  0.138018D+02  0.502149D+02
      2  -0.593046D+00  0.157336D+00  0.226604D+01 -0.403875D+01 -0.248327D+02
      3  -0.143437D+02  0.850308D+01 -0.177633D+02 -0.976309D+01 -0.253823D+02
      4  -0.101765D+02  0.168946D+02 -0.160188D+02  0.272643D+02  0.255490D+02
      5   0.223811D+02 -0.150097D+01  0.291860D+02  0.217628D+02 -0.224149D+02
      6  -0.642172D+01  0.185793D+01 -0.999510D+01 -0.836727D+01 -0.619303D+01
               101           102           103           104           105 
      1   0.105065D+02 -0.187707D+02  0.510530D+01  0.571328D+01 -0.324290D+00
      2  -0.302060D+01  0.993715D+01 -0.251021D+00 -0.128603D+01 -0.151906D+01
      3  -0.748589D+01  0.883352D+01 -0.485428D+01 -0.442725D+01  0.184335D+01
      4   0.143042D+02 -0.878354D+01  0.125930D+02  0.568250D+01 -0.608137D+01
      5  -0.434025D+01  0.174922D+02 -0.252975D+01 -0.611430D+01  0.390525D+01
      6  -0.200522D+01  0.549917D+01 -0.250237D+01 -0.291790D+01  0.407095D+01
               106           107           108           109           110 
      1  -0.287841D+02 -0.344598D+01  0.159691D+02  0.194278D+02  0.827536D+01
      2   0.158657D+02 -0.676952D+00 -0.114080D+02 -0.108263D+02 -0.377842D+01
      3   0.129184D+02  0.412293D+01 -0.456102D+01 -0.860149D+01 -0.449694D+01
      4  -0.146344D+02 -0.108199D+02  0.127817D+02  0.174512D+02  0.106691D+02
      5   0.245409D+02  0.814120D+01 -0.197099D+02  0.162217D+02  0.717349D+01
      6   0.801306D+01  0.513266D+01 -0.665491D+01  0.751102D+01  0.458033D+01
               111           112           113           114           115 
      1   0.772435D+01  0.612432D+01 -0.111639D+01  0.251483D+00  0.129940D+02
      2  -0.532026D+01 -0.169245D+01  0.387653D+01  0.153579D+01 -0.100831D+02
      3  -0.240409D+01 -0.443187D+01 -0.276014D+01 -0.178727D+01 -0.291096D+01
      4   0.909328D+01  0.135831D+02  0.113000D+02  0.118969D+02  0.181645D+02
      5   0.172689D+02  0.793635D+01  0.105322D+02  0.100299D+02  0.293156D+02
      6   0.652916D+01  0.653755D+01  0.821442D+01  0.944056D+01  0.136423D+02
               116           117           118           119           120 
      1   0.114332D+01  0.629793D+01 -0.706106D+00 -0.276217D+00  0.108827D+01
      2   0.107672D+01 -0.124141D+02 -0.625411D+01  0.112136D+01  0.464112D+01
      3  -0.222003D+01  0.611620D+01  0.696022D+01 -0.845138D+00 -0.572938D+01
      4   0.185176D+02  0.198780D+02 -0.217802D+01  0.382027D+01 -0.430184D+00
      5   0.156343D+02  0.366546D+02 -0.957144D+01  0.669358D+00  0.118754D+02
      6   0.126146D+02  0.192153D+02 -0.351934D+00 -0.122041D+01  0.205108D+00
               121           122           123           124           125 
      1   0.463680D+01 -0.413262D+01 -0.214764D+01  0.829337D+01 -0.110215D+00
      2  -0.101571D+01 -0.568685D+00 -0.129098D+01  0.604069D+01 -0.284554D+01
      3  -0.362109D+01  0.470131D+01  0.343862D+01 -0.143341D+02  0.295576D+01
      4   0.546131D+01  0.492029D+00 -0.331444D+01 -0.523426D+00 -0.328229D+01
      5   0.161973D+01 -0.335105D+01 -0.157385D+01  0.170979D+02 -0.196609D+01
      6  -0.180827D+01  0.126474D+01  0.674246D+01  0.185792D+01  0.462070D+01
               126           127           128           129           130 
      1  -0.233055D+02 -0.380430D+01  0.737493D+01  0.561811D+01  0.499748D+01
      2  -0.189030D+02  0.349453D+01 -0.955708D+01 -0.492183D+01 -0.606376D+01
      3   0.422086D+02  0.309769D+00  0.218216D+01 -0.696271D+00  0.106628D+01
      4  -0.130861D+01 -0.640993D+01  0.124150D+01  0.326824D+01  0.191995D+01
      5  -0.240040D+02  0.299320D+00 -0.330941D+00 -0.337806D+00 -0.309268D+00
      6  -0.102238D+01  0.660422D+01 -0.395201D+01 -0.588347D+01 -0.274902D+01
               131           132           133           134           135 
      1  -0.121070D+02 -0.482326D+01  0.875873D+01 -0.843387D+01 -0.132693D+02
      2   0.141343D+02  0.492153D+01 -0.590588D+01  0.945957D+01  0.868294D+01
      3  -0.202722D+01 -0.982725D-01 -0.285285D+01 -0.102570D+01  0.458636D+01
      4  -0.834243D+00 -0.119535D+01  0.585890D+01 -0.495398D+00 -0.198233D+01
      5   0.499642D+00  0.120699D+01  0.247812D-01  0.205928D+01  0.344384D+01
      6   0.484579D+01  0.823211D+01 -0.537813D+01  0.110194D+02  0.130769D+02
               136           137           138           139           140 
      1  -0.183898D+01  0.438159D+01 -0.119337D+01  0.275485D+01 -0.317381D+02
      2   0.341983D+01 -0.293252D+01  0.153769D+00 -0.525875D+00  0.422580D+02
      3  -0.158086D+01 -0.144907D+01  0.103960D+01 -0.222897D+01 -0.105199D+02
      4   0.448038D+01  0.762523D+01 -0.323217D+01  0.739843D+01  0.190657D+02
      5  -0.110948D+01 -0.285337D+01  0.336960D+01 -0.206773D+01 -0.868199D+01
      6  -0.380496D+01 -0.186990D+00 -0.845465D+00 -0.980250D+00 -0.266605D+02
               141           142           143           144           145 
      1   0.153039D+02 -0.446964D+00  0.213020D+02 -0.183537D+02 -0.825109D+01
      2  -0.170677D+02 -0.156647D+01 -0.224762D+02  0.130912D+02  0.686213D+01
      3   0.176376D+01  0.201344D+01  0.117423D+01  0.526249D+01  0.138896D+01
      4  -0.896181D+01 -0.441505D+01 -0.129163D+02  0.807938D+01  0.169568D+01
      5   0.575928D+01  0.287241D+01  0.895513D+01 -0.808068D+01 -0.309251D+01
      6   0.186789D+02 -0.108272D-01  0.247512D+02 -0.215807D+02 -0.576619D+01
               146           147           148           149           150 
      1  -0.102087D+02  0.568093D+01 -0.791125D+01 -0.223978D+02  0.653766D+01
      2   0.115470D+02 -0.198094D+01  0.986516D+01  0.264281D+02 -0.191666D+01
      3  -0.133832D+01 -0.369999D+01 -0.195391D+01 -0.403025D+01 -0.462100D+01
      4  -0.133084D+00 -0.109945D+01  0.165777D+01 -0.830207D+01  0.256285D+01
      5  -0.464388D+01  0.277840D+01 -0.607216D+01 -0.281113D+01 -0.241984D+01
      6  -0.891908D+01  0.333522D+01 -0.623934D+01 -0.184562D+02  0.903483D+01
               151           152           153           154           155 
      1   0.121545D+01  0.131393D+01 -0.277930D+01 -0.790063D+01  0.312655D+01
      2   0.247981D+00  0.194552D+01  0.174989D+01 -0.180163D+01  0.259940D+01
      3  -0.146343D+01 -0.325946D+01  0.102941D+01  0.970226D+01 -0.572594D+01
      4  -0.127124D+01 -0.349668D+00 -0.947440D+00  0.291881D+01 -0.298738D+01
      5   0.273944D+01 -0.111535D+01 -0.166145D+00 -0.265867D+01  0.109912D+01
      6   0.127946D+01  0.531831D+01 -0.243631D+01  0.260916D+01 -0.548189D+01
               156           157           158           159           160 
      1   0.916039D+01  0.446489D+01 -0.928435D+01 -0.952761D+01  0.508719D+01
      2   0.199221D+01  0.145513D+01  0.188135D+01 -0.400124D+01  0.168341D+01
      3  -0.111526D+02 -0.592003D+01  0.740300D+01  0.135289D+02 -0.677059D+01
      4  -0.313187D+01 -0.333770D+01  0.674723D+01  0.381331D+01 -0.324134D+01
      5   0.381439D+01  0.202049D+01 -0.107229D+01  0.327493D+01  0.511260D+01
      6  -0.279537D+01 -0.464118D+01  0.860554D+01  0.553680D+01 -0.322836D+01
               161           162           163           164           165 
      1  -0.622372D+01 -0.106022D+02  0.173014D+02 -0.167366D+01  0.420203D+01
      2  -0.227713D+01 -0.667728D+01 -0.183699D+02  0.317251D+01 -0.154946D+02
      3   0.850085D+01  0.172794D+02  0.106848D+01 -0.149885D+01  0.112926D+02
      4   0.281897D+01  0.372576D+01 -0.130383D+02  0.938168D+01 -0.980778D+01
      5  -0.289498D-01  0.197922D+01  0.333744D+02 -0.985490D+01  0.307427D+02
      6   0.562517D+01  0.449998D+01 -0.791835D+01  0.688120D+01 -0.934189D+01
               166           167           168           169           170 
      1  -0.893805D+00 -0.151736D+01  0.965069D+00  0.398863D+01  0.839409D+00
      2   0.155856D+01 -0.610881D-01  0.199721D+00 -0.133856D+02  0.196497D+01
      3  -0.664754D+00  0.157845D+01 -0.116479D+01  0.939699D+01 -0.280438D+01
      4   0.728686D+01 -0.582439D+01  0.721369D+01 -0.803832D+01  0.616633D+01
      5  -0.586246D+01  0.754240D+01 -0.537738D+01  0.258381D+02 -0.825402D+01
      6   0.516832D+01 -0.596866D+01  0.798155D+01 -0.758409D+01  0.731032D+01
               171           172           173           174           175 
      1  -0.232490D+01  0.178650D+02 -0.155775D+01 -0.108933D+02  0.573320D+01
      2  -0.178579D+02 -0.132739D+02  0.727611D+00  0.113847D+02 -0.399899D+01
      3   0.201828D+02 -0.459106D+01  0.830134D+00 -0.491475D+00 -0.173421D+01
      4  -0.861044D+01 -0.501844D+01  0.272132D+01  0.864812D+00  0.953472D+00
      5   0.311347D+02 -0.157190D+02 -0.164708D+01  0.198447D+02 -0.661606D+01
      6  -0.106414D+02  0.294693D+01 -0.544813D-01 -0.507591D+01  0.232167D+00
               176           177           178           179           180 
      1  -0.171988D+01 -0.509820D+01 -0.137702D+02 -0.249510D+01  0.992726D+01
      2  -0.469591D+00  0.755817D+01  0.147127D+02  0.487674D+01 -0.247530D+02
      3   0.218948D+01 -0.245998D+01 -0.942528D+00 -0.238165D+01  0.148257D+02
      4   0.424413D+01 -0.531303D+01  0.376096D+01 -0.855343D+01 -0.332823D+01
      5  -0.583458D+01  0.925146D+01  0.271700D+02  0.307485D+00 -0.472594D+02
      6  -0.663775D-01  0.194153D+01 -0.746123D+01  0.479454D+01  0.145990D+02
               181           182           183           184           185 
      1  -0.823526D+01 -0.188291D+02 -0.183015D+01 -0.136040D+02 -0.338435D+02
      2   0.834401D+01  0.199216D+02  0.215718D+01  0.978620D+01  0.462676D+02
      3  -0.108755D+00 -0.109249D+01 -0.327025D+00  0.381784D+01 -0.124241D+02
      4  -0.260882D+00 -0.664305D+01 -0.326700D+01  0.487714D+01 -0.311774D+02
      5   0.294859D+01 -0.176476D+01 -0.723581D+00  0.672777D+00 -0.341135D+01
      6   0.109907D+01  0.574775D+01  0.392811D+01  0.219334D+01  0.126598D+02
               186           187           188           189           190 
      1  -0.693039D+01  0.539898D+00 -0.736003D+01 -0.401550D+01  0.656600D+02
      2   0.634377D+01  0.107763D+01  0.543328D+01  0.327697D+01 -0.273587D+02
      3   0.586625D+00 -0.161753D+01  0.192675D+01  0.738524D+00 -0.383013D+02
      4  -0.448682D+01 -0.238580D+01 -0.239315D+01 -0.431746D+01 -0.383724D+02
      5  -0.458695D+01  0.300217D+01 -0.451454D+01 -0.477575D+01  0.158679D+02
      6   0.856608D+01  0.730994D+00  0.866431D+01  0.460043D+01 -0.716725D+01
               191           192           193           194           195 
      1  -0.190218D+02  0.161257D+02 -0.110550D+02  0.595191D+01 -0.403711D+01
      2   0.454548D+01 -0.590567D+01  0.313676D+00  0.368510D+01  0.217588D+00
      3   0.144763D+02 -0.102201D+02  0.107413D+02 -0.963702D+01  0.381952D+01
      4   0.211482D+02 -0.101719D+02  0.185529D+02 -0.154607D+02  0.701270D+01
      5  -0.571062D+01  0.155114D+02 -0.494260D+01  0.525815D+01 -0.202532D+01
      6   0.367745D+01 -0.666588D+01  0.359535D+01 -0.200421D+01  0.293594D+01
               196           197           198           199           200 
      1   0.284300D+02 -0.874670D+01  0.144626D+02 -0.195466D+00  0.358488D+00
      2  -0.106176D+02  0.811322D+00 -0.867363D+01 -0.516816D+00  0.644789D-01
      3  -0.178124D+02  0.793538D+01 -0.578901D+01  0.712282D+00 -0.422967D+00
      4  -0.205375D+02  0.152165D+02 -0.946945D+01  0.750207D+00  0.282985D+01
      5   0.193666D+02 -0.604191D+01  0.136881D+02  0.259060D+00  0.148837D+01
      6  -0.824470D+01  0.416605D+01 -0.691687D+01  0.246645D+01  0.461457D+00
               201           202           203           204           205 
      1   0.600482D+00  0.385372D+01 -0.167473D+02 -0.734985D+01  0.123915D+01
      2  -0.527500D+00 -0.256442D+01  0.158530D+02  0.305521D+01 -0.291659D+01
      3  -0.729813D-01 -0.128930D+01  0.894298D+00  0.429464D+01  0.167744D+01
      4   0.108002D+01  0.252728D+01  0.499278D+01  0.186670D+01  0.183177D+01
      5   0.171202D+01  0.137995D+01  0.261068D+01  0.227391D+01  0.187687D+01
      6   0.824204D+00 -0.627098D+00  0.113935D+02  0.728886D+01  0.213776D+01
               206           207           208           209           210 
      1  -0.512903D+01 -0.272108D+01  0.816109D+00 -0.429864D+01 -0.155612D+01
      2   0.225261D+01  0.156918D+01  0.171260D+01  0.251189D+01  0.688369D+00
      3   0.287642D+01  0.115190D+01 -0.252871D+01  0.178675D+01  0.867751D+00
      4   0.803717D+00  0.113647D+01 -0.374794D+01  0.363160D+01  0.131151D+01
      5   0.191944D+01  0.861506D+00 -0.208565D+01  0.926470D+00  0.570880D+00
      6   0.551740D+01  0.424627D+01  0.812164D+00 -0.916232D+00 -0.431004D-02
               211           212           213           214           215 
      1  -0.404551D+01 -0.144563D+02 -0.187655D+01 -0.280833D+01 -0.212884D+01
      2   0.897566D+00  0.211960D+02  0.243185D+01 -0.275192D+00  0.335512D+01
      3   0.314794D+01 -0.673979D+01 -0.555298D+00  0.308353D+01 -0.122628D+01
      4   0.645495D+01 -0.177590D+02 -0.328002D+01  0.373413D+01 -0.444104D+01
      5   0.185549D+01 -0.257329D+01 -0.282008D+01 -0.181344D+01 -0.184030D+01
      6  -0.118569D+01  0.117791D+01  0.407501D+01  0.178656D+01  0.289087D+01
               216           217           218           219           220 
      1  -0.320159D+01  0.162396D+02 -0.726856D+01  0.704347D+01 -0.178688D+02
      2   0.270986D+01 -0.519280D+01  0.166448D+01 -0.296686D+01  0.355220D+01
      3   0.491730D+00 -0.110468D+02  0.560408D+01 -0.407661D+01  0.143166D+02
      4  -0.239055D+01 -0.875937D+01  0.105490D+02 -0.679659D+01  0.290486D+02
      5  -0.105312D+01  0.811814D+01 -0.599958D+01  0.369262D+01 -0.596694D+01
      6   0.174610D+01 -0.323319D+01  0.112828D+01 -0.482521D+00  0.281376D+01
               221           222           223           224           225 
      1   0.805620D+01 -0.636198D+00  0.180477D+02 -0.589065D+01  0.854153D+00
      2   0.110167D+02 -0.476179D+01 -0.696344D+01 -0.342231D+01  0.405757D+00
      3  -0.190729D+02  0.539799D+01 -0.110843D+02  0.931296D+01 -0.125991D+01
      4  -0.518112D+02  0.155397D+02 -0.162481D+02  0.249404D+02 -0.197332D+02
      5   0.167036D+02 -0.186766D+02  0.118820D+02 -0.208944D+02  0.179574D+02
      6  -0.727160D+01  0.750382D+01 -0.419636D+01  0.939402D+01 -0.697376D+01
               226           227           228           229           230 
      1   0.777598D-01 -0.790408D+00 -0.102453D+02 -0.521312D+01 -0.194542D+01
      2  -0.145501D+01  0.124508D+00  0.310715D+01  0.224274D+01  0.202191D+01
      3   0.137725D+01  0.665900D+00  0.713820D+01  0.297038D+01 -0.764894D-01
      4   0.317913D+01 -0.169240D+01 -0.205747D+01  0.107751D+02 -0.198164D+02
      5  -0.397248D+01 -0.284146D+01 -0.273800D+01  0.282541D+01 -0.126427D+02
      6   0.230182D+01  0.222057D+01  0.233356D+01 -0.150300D+01  0.769759D+01
               231           232           233           234           235 
      1  -0.611594D+01 -0.173842D+02 -0.601593D+01 -0.134254D+02  0.100212D+03
      2   0.182138D+01  0.114867D+02 -0.208790D+00 -0.882666D+01 -0.536288D+02
      3   0.429456D+01  0.589748D+01  0.622472D+01  0.222520D+02 -0.465834D+02
      4  -0.127369D+02  0.635719D+01 -0.142216D+02 -0.199552D+02  0.166709D+02
      5  -0.172675D+02  0.147108D+02 -0.216187D+02 -0.517043D+02 -0.123021D+02
      6   0.105835D+02 -0.331853D+01  0.117938D+02  0.170691D+02 -0.279999D+01
               236           237           238           239           240 
      1   0.206639D+02 -0.712429D+01  0.423155D+02  0.176280D+02 -0.445422D+01
      2  -0.119974D+02  0.519388D+01 -0.229606D+02 -0.826407D+01  0.253051D+01
      3  -0.866648D+01  0.193041D+01 -0.193548D+02 -0.936397D+01  0.192370D+01
      4   0.149904D+02 -0.279350D+01  0.201436D+02  0.146584D+02 -0.902466D+00
      5  -0.388349D+01  0.134459D+02 -0.702913D+01 -0.162266D+01  0.626858D+01
      6  -0.149997D+01  0.105662D+00 -0.242711D+01 -0.250405D+01  0.201435D+01
               241           242           243 
      1  -0.385083D+01 -0.248058D+01  0.105885D+02
      2   0.375235D+01  0.924703D+00 -0.732575D+01
      3   0.984833D-01  0.155588D+01 -0.326275D+01
      4  -0.253215D+01  0.804991D+00  0.150092D+01
      5   0.157742D+02  0.203729D+01 -0.599179D+01
      6   0.406343D+00  0.236666D+01  0.324572D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:27:30 2021, MaxMem=  5368709120 cpu:           17160.9 elap:            2150.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.44743 -10.53099 -10.46088 -10.45576 -10.44993
 Alpha  occ. eigenvalues --  -10.44327 -10.44031 -10.44030 -10.43666 -10.42899
 Alpha  occ. eigenvalues --  -10.42822  -1.16372  -1.01037  -0.92869  -0.88356
 Alpha  occ. eigenvalues --   -0.87439  -0.82106  -0.80769  -0.74390  -0.71573
 Alpha  occ. eigenvalues --   -0.65393  -0.63690  -0.61197  -0.59179  -0.58454
 Alpha  occ. eigenvalues --   -0.56500  -0.55953  -0.54758  -0.53405  -0.52398
 Alpha  occ. eigenvalues --   -0.50324  -0.50298  -0.49701  -0.48177  -0.47707
 Alpha  occ. eigenvalues --   -0.46457  -0.43953  -0.42608  -0.41609  -0.39953
 Alpha  occ. eigenvalues --   -0.36376  -0.35991
 Alpha virt. eigenvalues --    0.02243   0.04346   0.05364   0.06399   0.07123
 Alpha virt. eigenvalues --    0.07949   0.08650   0.09758   0.11043   0.11325
 Alpha virt. eigenvalues --    0.11890   0.12606   0.13643   0.13923   0.14677
 Alpha virt. eigenvalues --    0.15602   0.16423   0.17286   0.17410   0.17971
 Alpha virt. eigenvalues --    0.18192   0.18817   0.20110   0.20703   0.20783
 Alpha virt. eigenvalues --    0.21108   0.21763   0.22544   0.23477   0.24049
 Alpha virt. eigenvalues --    0.24450   0.24939   0.25858   0.26430   0.27022
 Alpha virt. eigenvalues --    0.27434   0.28071   0.28755   0.30157   0.30240
 Alpha virt. eigenvalues --    0.30877   0.31222   0.32223   0.32433   0.33672
 Alpha virt. eigenvalues --    0.33847   0.34033   0.35041   0.35150   0.35856
 Alpha virt. eigenvalues --    0.35964   0.36623   0.37252   0.37532   0.37957
 Alpha virt. eigenvalues --    0.38261   0.38486   0.38713   0.39069   0.39085
 Alpha virt. eigenvalues --    0.39469   0.40107   0.40352   0.40804   0.40945
 Alpha virt. eigenvalues --    0.41604   0.41989   0.42470   0.42789   0.43452
 Alpha virt. eigenvalues --    0.43750   0.44490   0.44621   0.45371   0.45582
 Alpha virt. eigenvalues --    0.45940   0.46560   0.46991   0.47310   0.47692
 Alpha virt. eigenvalues --    0.48301   0.48472   0.49177   0.50186   0.50535
 Alpha virt. eigenvalues --    0.51309   0.51726   0.51995   0.52138   0.52665
 Alpha virt. eigenvalues --    0.53127   0.53312   0.53568   0.54037   0.54584
 Alpha virt. eigenvalues --    0.55018   0.55808   0.56039   0.56363   0.56931
 Alpha virt. eigenvalues --    0.57342   0.57686   0.58486   0.58875   0.59574
 Alpha virt. eigenvalues --    0.60087   0.60681   0.61288   0.61974   0.62291
 Alpha virt. eigenvalues --    0.62937   0.63595   0.64354   0.64909   0.65542
 Alpha virt. eigenvalues --    0.65667   0.66088   0.66937   0.67570   0.68506
 Alpha virt. eigenvalues --    0.68853   0.69714   0.70814   0.71440   0.71829
 Alpha virt. eigenvalues --    0.72599   0.73326   0.73639   0.74027   0.75415
 Alpha virt. eigenvalues --    0.76555   0.77418   0.78392   0.79088   0.79790
 Alpha virt. eigenvalues --    0.80234   0.81239   0.82098   0.83005   0.83927
 Alpha virt. eigenvalues --    0.85449   0.85992   0.86994   0.88216   0.92402
 Alpha virt. eigenvalues --    0.95992   0.97096   0.98193   0.99580   1.00873
 Alpha virt. eigenvalues --    1.02345   1.02672   1.04166   1.04796   1.05384
 Alpha virt. eigenvalues --    1.05799   1.06336   1.07038   1.07849   1.08821
 Alpha virt. eigenvalues --    1.09248   1.10336   1.10638   1.11249   1.11742
 Alpha virt. eigenvalues --    1.12898   1.13360   1.15284   1.16099   1.16882
 Alpha virt. eigenvalues --    1.19540   1.21427   1.22463   1.23974   1.24798
 Alpha virt. eigenvalues --    1.25632   1.26720   1.28191   1.29719   1.31631
 Alpha virt. eigenvalues --    1.32086   1.33491   1.34780   1.37419   1.38624
 Alpha virt. eigenvalues --    1.39350   1.41693   1.43071   1.43428   1.43837
 Alpha virt. eigenvalues --    1.44038   1.46270   1.47869   1.49174   1.50322
 Alpha virt. eigenvalues --    1.52347   1.56593   1.57195   1.60652   1.61843
 Alpha virt. eigenvalues --    1.62931   1.64300   1.68515   1.69340   1.71061
 Alpha virt. eigenvalues --    1.72027   1.72997   1.73862   1.75590   1.77394
 Alpha virt. eigenvalues --    1.77699   1.78596   1.81384   1.82330   1.84543
 Alpha virt. eigenvalues --    1.85559   1.86821   1.87367   1.89436   1.91459
 Alpha virt. eigenvalues --    1.93291   1.94024   1.94791   1.95677   1.97718
 Alpha virt. eigenvalues --    1.98948   1.99898   2.01285   2.02825   2.04420
 Alpha virt. eigenvalues --    2.05268   2.06547   2.07492   2.08321   2.10404
 Alpha virt. eigenvalues --    2.11569   2.12351   2.13919   2.14014   2.15135
 Alpha virt. eigenvalues --    2.15830   2.17895   2.19798   2.20595   2.21870
 Alpha virt. eigenvalues --    2.24019   2.24595   2.25737   2.26599   2.28693
 Alpha virt. eigenvalues --    2.30064   2.30937   2.32775   2.33899   2.34118
 Alpha virt. eigenvalues --    2.36154   2.37001   2.38594   2.40504   2.41452
 Alpha virt. eigenvalues --    2.43775   2.47078   2.48310   2.50142   2.50936
 Alpha virt. eigenvalues --    2.52507   2.55715   2.56928   2.59298   2.59821
 Alpha virt. eigenvalues --    2.60787   2.63951   2.64426   2.65454   2.68510
 Alpha virt. eigenvalues --    2.70956   2.71561   2.73324   2.75521   2.76938
 Alpha virt. eigenvalues --    2.79177   2.80872   2.84600   2.90142   2.91634
 Alpha virt. eigenvalues --    2.95085   2.96916   2.99654   3.03113   3.04885
 Alpha virt. eigenvalues --    3.06697   3.10676   3.10944   3.11422   3.14470
 Alpha virt. eigenvalues --    3.16101   3.20487   3.22431   3.22629   3.24099
 Alpha virt. eigenvalues --    3.26921   3.28075   3.29342   3.29859   3.31014
 Alpha virt. eigenvalues --    3.36090   3.37968   3.61495   3.89191
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.104612  -0.426576   0.034046  -0.137245  -0.012563   0.005173
     2  C   -0.426576  11.055373  -0.480704  -0.020477   0.107935   0.002757
     3  C    0.034046  -0.480704   6.562223  -0.594522  -0.054080   0.078256
     4  C   -0.137245  -0.020477  -0.594522   7.350954  -0.329631   0.047008
     5  C   -0.012563   0.107935  -0.054080  -0.329631   8.162530  -0.740650
     6  C    0.005173   0.002757   0.078256   0.047008  -0.740650   6.151811
     7  O    0.002506  -0.005426   0.029061  -0.078541  -0.140665   0.677894
     8  C   -0.228340  -0.606930  -0.045558  -0.006883  -0.008083   0.000352
     9  C    0.011385  -0.330689   0.043875  -0.012723  -0.005419  -0.000745
    10  C   -0.060315   0.077278  -0.008741   0.008253  -0.092900   0.001887
    11  C    0.000164  -0.000884   0.001447   0.044298  -0.061898   0.411988
    12  H    0.078929  -0.007296   0.075195  -0.016357   0.001119  -0.000002
    13  H   -0.125211  -0.076197   0.028673  -0.005770   0.001264  -0.000031
    14  H    0.067306  -0.018620  -0.005944  -0.174402   0.079152   0.001075
    15  H    0.022620   0.120795   0.074670  -0.142517   0.044703  -0.000666
    16  H   -0.015862  -0.117901   0.042694   0.024351  -0.011249   0.001839
    17  H   -0.121024   0.149998  -0.024062   0.051149  -0.005641   0.000253
    18  H    0.263370   0.254681  -0.097209  -0.020328  -0.013268  -0.004081
    19  H   -0.023504   0.195165   0.023433  -0.003003   0.000780   0.000344
    20  H   -0.007705  -0.066788  -0.050978  -0.003882  -0.001991   0.000061
    21  H    0.008841   0.192036   0.038153  -0.002157   0.000071   0.000349
    22  H    0.037272   0.177889   0.023504   0.002176  -0.000121   0.000003
    23  H    0.020152   0.014755  -0.061127   0.084867  -0.541334  -0.033718
    24  H   -0.000237  -0.004565  -0.126310  -0.125753   0.279140  -0.472345
    25  H   -0.000023  -0.000175   0.002503  -0.010168  -0.018656   0.080062
    26  H    0.000204  -0.000407   0.002707  -0.008725   0.001263   0.055451
    27  H   -0.000022  -0.000012  -0.000279  -0.000985   0.040317   0.111835
               7          8          9         10         11         12
     1  C    0.002506  -0.228340   0.011385  -0.060315   0.000164   0.078929
     2  C   -0.005426  -0.606930  -0.330689   0.077278  -0.000884  -0.007296
     3  C    0.029061  -0.045558   0.043875  -0.008741   0.001447   0.075195
     4  C   -0.078541  -0.006883  -0.012723   0.008253   0.044298  -0.016357
     5  C   -0.140665  -0.008083  -0.005419  -0.092900  -0.061898   0.001119
     6  C    0.677894   0.000352  -0.000745   0.001887   0.411988  -0.000002
     7  O    7.667207  -0.000014   0.000368  -0.000620  -0.025067   0.000036
     8  C   -0.000014   5.641973  -0.150667   0.055030   0.000002  -0.118662
     9  C    0.000368  -0.150667   5.027203   0.163833  -0.000006   0.165862
    10  C   -0.000620   0.055030   0.163833   5.004924  -0.000877  -0.164728
    11  C   -0.025067   0.000002  -0.000006  -0.000877   4.426443   0.000006
    12  H    0.000036  -0.118662   0.165862  -0.164728   0.000006   1.457570
    13  H    0.000028   0.111848   0.063806   0.163968  -0.000004  -0.508740
    14  H    0.001172  -0.119265   0.116448  -0.244917   0.000143   0.064428
    15  H   -0.000250  -0.010768  -0.020513  -0.028437   0.000005   0.136680
    16  H   -0.000112  -0.001614   0.002223   0.393416  -0.000402  -0.200865
    17  H   -0.001060   0.006966   0.019084  -0.001413  -0.000084  -0.004563
    18  H   -0.000376  -0.018571  -0.036437  -0.003835   0.000208   0.003308
    19  H    0.000069   0.030324   0.002211   0.000047  -0.000022  -0.004524
    20  H   -0.000012   0.545521  -0.043313   0.023331   0.000000  -0.026825
    21  H    0.000205  -0.077220   0.011526  -0.011838  -0.000007   0.005791
    22  H   -0.000006  -0.086320   0.043448  -0.008871  -0.000000  -0.007314
    23  H   -0.002780  -0.017249   0.004114   0.024793   0.005318  -0.000461
    24  H    0.035594  -0.001243   0.002368  -0.000888  -0.072717   0.000851
    25  H    0.001565   0.000001   0.000011  -0.000383   0.275047   0.000001
    26  H    0.004101   0.000001   0.000014  -0.000603   0.275791   0.000000
    27  H   -0.019007  -0.000000   0.000001   0.000031   0.290620  -0.000000
              13         14         15         16         17         18
     1  C   -0.125211   0.067306   0.022620  -0.015862  -0.121024   0.263370
     2  C   -0.076197  -0.018620   0.120795  -0.117901   0.149998   0.254681
     3  C    0.028673  -0.005944   0.074670   0.042694  -0.024062  -0.097209
     4  C   -0.005770  -0.174402  -0.142517   0.024351   0.051149  -0.020328
     5  C    0.001264   0.079152   0.044703  -0.011249  -0.005641  -0.013268
     6  C   -0.000031   0.001075  -0.000666   0.001839   0.000253  -0.004081
     7  O    0.000028   0.001172  -0.000250  -0.000112  -0.001060  -0.000376
     8  C    0.111848  -0.119265  -0.010768  -0.001614   0.006966  -0.018571
     9  C    0.063806   0.116448  -0.020513   0.002223   0.019084  -0.036437
    10  C    0.163968  -0.244917  -0.028437   0.393416  -0.001413  -0.003835
    11  C   -0.000004   0.000143   0.000005  -0.000402  -0.000084   0.000208
    12  H   -0.508740   0.064428   0.136680  -0.200865  -0.004563   0.003308
    13  H    1.769933  -0.026977  -0.232101   0.103463   0.008322  -0.029972
    14  H   -0.026977   1.501820   0.082509  -0.162849  -0.008378   0.004338
    15  H   -0.232101   0.082509   1.405944  -0.415253  -0.007868   0.000354
    16  H    0.103463  -0.162849  -0.415253   1.782979   0.002340  -0.003888
    17  H    0.008322  -0.008378  -0.007868   0.002340   0.938191  -0.017276
    18  H   -0.029972   0.004338   0.000354  -0.003888  -0.017276   0.949717
    19  H    0.015920  -0.003889   0.008047   0.001952  -0.189099  -0.189850
    20  H    0.009331  -0.037396  -0.000939   0.002024  -0.000184  -0.003448
    21  H   -0.001410  -0.000554  -0.000703   0.000635   0.024096   0.000514
    22  H   -0.000992   0.010517  -0.000815   0.000331  -0.015192   0.000211
    23  H    0.000207  -0.101004  -0.003865   0.000470   0.000652   0.009499
    24  H   -0.002004   0.003077   0.016499  -0.019964   0.002604  -0.001199
    25  H   -0.000000   0.000006   0.000073  -0.000097  -0.000004   0.000037
    26  H    0.000001   0.000064  -0.000000  -0.000077  -0.000022   0.000063
    27  H   -0.000000   0.000005   0.000012   0.000000   0.000011   0.000015
              19         20         21         22         23         24
     1  C   -0.023504  -0.007705   0.008841   0.037272   0.020152  -0.000237
     2  C    0.195165  -0.066788   0.192036   0.177889   0.014755  -0.004565
     3  C    0.023433  -0.050978   0.038153   0.023504  -0.061127  -0.126310
     4  C   -0.003003  -0.003882  -0.002157   0.002176   0.084867  -0.125753
     5  C    0.000780  -0.001991   0.000071  -0.000121  -0.541334   0.279140
     6  C    0.000344   0.000061   0.000349   0.000003  -0.033718  -0.472345
     7  O    0.000069  -0.000012   0.000205  -0.000006  -0.002780   0.035594
     8  C    0.030324   0.545521  -0.077220  -0.086320  -0.017249  -0.001243
     9  C    0.002211  -0.043313   0.011526   0.043448   0.004114   0.002368
    10  C    0.000047   0.023331  -0.011838  -0.008871   0.024793  -0.000888
    11  C   -0.000022   0.000000  -0.000007  -0.000000   0.005318  -0.072717
    12  H   -0.004524  -0.026825   0.005791  -0.007314  -0.000461   0.000851
    13  H    0.015920   0.009331  -0.001410  -0.000992   0.000207  -0.002004
    14  H   -0.003889  -0.037396  -0.000554   0.010517  -0.101004   0.003077
    15  H    0.008047  -0.000939  -0.000703  -0.000815  -0.003865   0.016499
    16  H    0.001952   0.002024   0.000635   0.000331   0.000470  -0.019964
    17  H   -0.189099  -0.000184   0.024096  -0.015192   0.000652   0.002604
    18  H   -0.189850  -0.003448   0.000514   0.000211   0.009499  -0.001199
    19  H    1.072251   0.006530  -0.021674   0.009202  -0.000309   0.000037
    20  H    0.006530   0.890246  -0.126657  -0.120345  -0.002139  -0.000155
    21  H   -0.021674  -0.126657   0.809671   0.003291  -0.016052  -0.000039
    22  H    0.009202  -0.120345   0.003291   0.824786   0.001548  -0.000023
    23  H   -0.000309  -0.002139  -0.016052   0.001548   1.439292   0.060546
    24  H    0.000037  -0.000155  -0.000039  -0.000023   0.060546   1.560405
    25  H    0.000001   0.000000   0.000000   0.000000  -0.000162  -0.037445
    26  H   -0.000001   0.000000   0.000000   0.000000  -0.000553  -0.037471
    27  H    0.000000   0.000000   0.000000   0.000000  -0.000036   0.015788
              25         26         27
     1  C   -0.000023   0.000204  -0.000022
     2  C   -0.000175  -0.000407  -0.000012
     3  C    0.002503   0.002707  -0.000279
     4  C   -0.010168  -0.008725  -0.000985
     5  C   -0.018656   0.001263   0.040317
     6  C    0.080062   0.055451   0.111835
     7  O    0.001565   0.004101  -0.019007
     8  C    0.000001   0.000001  -0.000000
     9  C    0.000011   0.000014   0.000001
    10  C   -0.000383  -0.000603   0.000031
    11  C    0.275047   0.275791   0.290620
    12  H    0.000001   0.000000  -0.000000
    13  H   -0.000000   0.000001  -0.000000
    14  H    0.000006   0.000064   0.000005
    15  H    0.000073  -0.000000   0.000012
    16  H   -0.000097  -0.000077   0.000000
    17  H   -0.000004  -0.000022   0.000011
    18  H    0.000037   0.000063   0.000015
    19  H    0.000001  -0.000001   0.000000
    20  H    0.000000   0.000000   0.000000
    21  H    0.000000   0.000000   0.000000
    22  H    0.000000   0.000000   0.000000
    23  H   -0.000162  -0.000553  -0.000036
    24  H   -0.037445  -0.037471   0.015788
    25  H    0.545929   0.046011  -0.025289
    26  H    0.046011   0.529944  -0.021362
    27  H   -0.025289  -0.021362   0.617654
 Mulliken charges:
               1
     1  C    1.502047
     2  C   -4.185014
     3  C    0.489073
     4  C    0.081012
     5  C   -0.680126
     6  C   -0.376162
     7  O   -0.145872
     8  C    1.105369
     9  C    0.922732
    10  C    0.712575
    11  C    0.430489
    12  H    0.070561
    13  H   -0.267352
    14  H   -0.027867
    15  H   -0.048218
    16  H   -0.408584
    17  H    0.192205
    18  H   -0.046577
    19  H    0.069560
    20  H    0.015712
    21  H    0.163132
    22  H    0.105823
    23  H    0.114576
    24  H   -0.074551
    25  H    0.141152
    26  H    0.153603
    27  H   -0.009298
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.717236
     2  C   -4.185014
     3  C    0.461206
     4  C    0.195588
     5  C   -0.754677
     6  C   -0.376162
     7  O   -0.145872
     8  C    1.390036
     9  C    0.725940
    10  C    0.255773
    11  C    0.715946
 Electronic spatial extent (au):  <R**2>=           2456.4460
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.8575    Y=              2.6681    Z=              0.5085  Tot=              3.2906
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -70.0215   YY=            -71.9340   ZZ=            -68.3565
   XY=             -9.5514   XZ=             -3.2088   YZ=             -0.3837
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.0825   YY=             -1.8300   ZZ=              1.7475
   XY=             -9.5514   XZ=             -3.2088   YZ=             -0.3837
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -8.2931  YYY=              2.7542  ZZZ=             -0.9019  XYY=              7.7013
  XXY=             28.5975  XXZ=              8.9948  XZZ=             -0.7576  YZZ=              0.2357
  YYZ=              0.6645  XYZ=              1.2209
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2468.7796 YYYY=           -539.9264 ZZZZ=           -300.1145 XXXY=            -83.4259
 XXXZ=            -24.8355 YYYX=            -13.0597 YYYZ=             -2.0032 ZZZX=             -4.5970
 ZZZY=              3.9995 XXYY=           -551.4112 XXZZ=           -459.4481 YYZZ=           -137.3897
 XXYZ=            -15.0347 YYXZ=             -3.3595 ZZXY=              3.6672
 N-N= 6.110483324992D+02 E-N=-2.299551304699D+03  KE= 4.595436776838D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:27:31 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.53203215D-01 9.76112432D-01 1.78417530D-01
 Polarizability= 1.57753060D+02-3.27875141D+00 1.14652483D+02
                -5.16231534D+00 2.28516577D+00 9.73254217D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.5722    2.5744       -1.5908   -1.5871
 2     -2.5722   -2.5744       -1.0416   -1.0431      -22.8608  -22.8608
 3      1.5908    1.5871       31.1829   31.1858        1.0405    1.0431
 4      1.0416    1.0431       -0.0000    0.0000        1.5874    1.5871
 5     -8.3221   -8.3250       -1.5874   -1.5871        2.5741    2.5744
 6     -1.0405   -1.0431       -2.5740   -2.5744       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -7.7231   -7.7231       -4.7613   -4.7613
 2      3.1292    3.1292       -0.0000    0.0000       -4.7613   -4.7613
 3      3.1292    3.1292       -7.7231   -7.7231       -0.0000    0.0000
 4     -7.7231   -7.7231       -3.1292   -3.1292      -68.5824  -68.5824
 5      4.7613    4.7613       93.5573   93.5573        3.1292    3.1292
 6    -24.9749  -24.9749       -4.7613   -4.7613        7.7231    7.7231
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1327    0.0000      -10.4518  -10.2975        6.2671    6.3484
 2     10.6588   10.2975        3.8960    4.1722       91.3302   91.4432
 3     -6.3117   -6.3484     -125.0963 -124.7430       -4.1062   -4.1722
 4     -4.0795   -4.1722        0.1648    0.0000       -6.1854   -6.3484
 5     33.5095   33.2998        6.3416    6.3484      -10.6942  -10.2975
 6      4.2106    4.1722       10.5697   10.2975       -0.0175    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1679    0.0000       14.5414   14.8406      -38.0531  -38.1206
 2    -14.8501  -14.8406       17.1182   17.2088       22.1792   21.5576
 3     38.0143   38.1206       21.3804   22.1744      -17.1116  -17.2088
 4    -17.6552  -17.2088       -0.1408    0.0000       38.8230   38.1206
 5    -44.0113  -43.7321      -38.4251  -38.1206       16.2021   14.8406
 6     17.1717   17.2088      -14.7554  -14.8406       -0.2465    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -35.9487  -36.0779        9.9403   10.0010       31.7995   31.6945
 2    -54.5209  -54.6232        8.6318    8.7949       32.3588   31.6945
 3    -54.8311  -54.6232        9.9175   10.0010       52.1493   51.1999
 4      0.9082    1.2061       19.1588   18.5453       36.1576   36.3277
 5     18.8690   19.5055       43.5113   43.3794      -18.9584  -18.5453
 6    -80.3320  -79.7071      -19.3063  -19.5055       -0.8215   -1.2061
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.4119   -2.6292   -0.0003   -0.0001    0.0004    2.7054
 Low frequencies ---   34.3208   71.7474   83.5721
 Diagonal vibrational polarizability:
       22.6689464       8.5513366      79.6013259
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.3092                71.7449                83.5719
 Red. masses --      3.4219                 4.0592                 2.9550
 Frc consts  --      0.0024                 0.0123                 0.0122
 IR Inten    --      3.6320                 1.0936                 0.7133
 RamAct Fr= 1--      1.0931                 0.9232                 0.1370
  Dep-P Fr= 1--      0.7474                 0.6444                 0.6582
  Dep-U Fr= 1--      0.8554                 0.7837                 0.7939
 Alpha2 Fr= 1--      0.0000                 0.0018                 0.0002
 Beta2  Fr= 1--      0.1558                 0.1206                 0.0181
 AlphaG Fr= 1--      0.0001                -0.0165                 0.0008
 Gamma2 Fr= 1--      0.7440                 0.0068                -0.1936
 Delta2 Fr= 1--      0.4200                 0.2093                -0.1113
 Raman1 Fr= 1--       4.372                  3.693                  0.548
 ROA1   Fr= 1--      84.866                  7.356                -22.152
 CID1   Fr= 1--      19.410                  1.992                -40.414
 Raman2 Fr= 1--       1.870                  1.447                  0.218
 ROA2   Fr= 1--      14.497                 -1.511                 -3.757
 CID2   Fr= 1--       7.752                 -1.044                -17.268
 Raman3 Fr= 1--       3.740                  2.894                  0.435
 ROA3   Fr= 1--      84.866                  7.356                -22.152
 CID3   Fr= 1--      22.691                  2.542                -50.907
 RC180  Fr= 1--       0.711                  0.567                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.10   0.03     0.25   0.04   0.08    -0.04  -0.12  -0.04
     2   6    -0.03   0.01   0.03     0.08   0.01   0.01     0.01  -0.00   0.01
     3   6     0.02  -0.01  -0.05    -0.03  -0.08   0.10     0.01  -0.08  -0.05
     4   6     0.01   0.01  -0.08    -0.02  -0.11   0.15     0.01  -0.09  -0.05
     5   6     0.03  -0.01  -0.00    -0.03  -0.06   0.05     0.02  -0.04  -0.09
     6   6     0.02  -0.01  -0.01    -0.08   0.02  -0.06     0.00   0.03   0.01
     7   8    -0.02   0.04  -0.22    -0.17   0.07  -0.19    -0.09   0.03   0.05
     8   6    -0.03  -0.04   0.12     0.08   0.03  -0.03     0.17   0.12   0.02
     9   6    -0.00   0.00  -0.03     0.01   0.04  -0.11    -0.11   0.05   0.10
    10   6     0.02   0.00  -0.10    -0.07  -0.05   0.03    -0.09  -0.04  -0.07
    11   6     0.09  -0.08   0.27    -0.03   0.06  -0.01     0.09   0.11   0.07
    12   1     0.02  -0.05  -0.01    -0.08   0.05  -0.20    -0.01   0.12   0.22
    13   1    -0.02   0.04  -0.03     0.11   0.10  -0.16    -0.28   0.06   0.16
    14   1     0.06  -0.06  -0.03    -0.10  -0.08   0.08     0.03  -0.10  -0.04
    15   1     0.00   0.05  -0.13     0.00  -0.08   0.09    -0.19  -0.03  -0.15
    16   1     0.06  -0.03  -0.13    -0.20  -0.06   0.02    -0.04  -0.08  -0.10
    17   1    -0.11   0.11   0.06     0.29   0.00   0.18     0.06  -0.18  -0.13
    18   1    -0.09   0.14  -0.03     0.25   0.02   0.11    -0.16  -0.20  -0.06
    19   1    -0.12   0.12   0.08     0.32   0.11   0.01    -0.07  -0.05   0.01
    20   1     0.02  -0.11   0.12    -0.04   0.01  -0.08     0.21   0.21   0.06
    21   1    -0.04  -0.04   0.16     0.13  -0.01   0.08     0.29   0.06  -0.06
    22   1    -0.06  -0.03   0.17     0.17   0.12  -0.11     0.16   0.20   0.07
    23   1    -0.02   0.03  -0.16    -0.02  -0.12   0.19     0.01  -0.11   0.02
    24   1     0.05  -0.04   0.10    -0.01  -0.05   0.02     0.06  -0.03  -0.16
    25   1     0.05   0.06   0.46     0.09   0.17   0.10     0.09   0.10   0.05
    26   1     0.19  -0.30   0.34    -0.06  -0.10   0.07     0.20   0.14   0.03
    27   1     0.08  -0.08   0.24    -0.09   0.14  -0.15     0.06   0.17   0.17
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.1245               135.9243               160.5915
 Red. masses --      1.1129                 2.3787                 2.6932
 Frc consts  --      0.0087                 0.0259                 0.0409
 IR Inten    --      0.0082                 0.1649                 1.1201
 RamAct Fr= 1--      0.3543                 1.0318                 0.4097
  Dep-P Fr= 1--      0.7291                 0.7223                 0.6614
  Dep-U Fr= 1--      0.8433                 0.8388                 0.7962
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0006
 Beta2  Fr= 1--      0.0498                 0.1442                 0.0544
 AlphaG Fr= 1--     -0.0008                 0.0045                -0.0018
 Gamma2 Fr= 1--      0.0911                -0.1545                 0.6357
 Delta2 Fr= 1--      0.0149                 0.1282                 0.0582
 Raman1 Fr= 1--       1.417                  4.127                  1.639
 ROA1   Fr= 1--       9.221                -10.731                 62.889
 CID1   Fr= 1--       6.506                 -2.600                 38.378
 Raman2 Fr= 1--       0.598                  1.731                  0.652
 ROA2   Fr= 1--       2.067                 -4.733                 14.792
 CID2   Fr= 1--       3.458                 -2.734                 22.673
 Raman3 Fr= 1--       1.195                  3.462                  1.305
 ROA3   Fr= 1--       9.221                -10.731                 62.889
 CID3   Fr= 1--       7.715                 -3.100                 48.200
 RC180  Fr= 1--       0.687                  0.678                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.01    -0.04   0.02  -0.02    -0.01   0.09   0.00
     2   6     0.01  -0.00   0.01    -0.01   0.01  -0.01     0.00   0.02  -0.02
     3   6    -0.00   0.00   0.02     0.00   0.00  -0.04     0.01   0.04  -0.00
     4   6    -0.00   0.00   0.02     0.00  -0.01  -0.07     0.04  -0.06  -0.13
     5   6    -0.02   0.02  -0.05     0.08  -0.11   0.27     0.03  -0.09  -0.12
     6   6    -0.01   0.00  -0.01     0.02  -0.03   0.07     0.02  -0.04  -0.03
     7   8    -0.01   0.01  -0.04    -0.04   0.01  -0.05    -0.07  -0.04   0.06
     8   6    -0.01  -0.01  -0.00     0.02   0.01   0.02    -0.06  -0.05   0.01
     9   6     0.01  -0.00  -0.00    -0.02   0.01  -0.02     0.01   0.02  -0.04
    10   6     0.00  -0.00   0.02    -0.02  -0.00  -0.02    -0.09   0.00   0.21
    11   6    -0.00  -0.02   0.04     0.02   0.06  -0.08     0.12   0.08   0.01
    12   1    -0.00  -0.00  -0.02    -0.02   0.02  -0.02    -0.15   0.06  -0.20
    13   1     0.03  -0.01  -0.01    -0.02   0.02  -0.02     0.19  -0.02  -0.10
    14   1    -0.01   0.01   0.02     0.03   0.02  -0.03     0.10   0.21   0.00
    15   1     0.01  -0.01   0.03    -0.02  -0.02  -0.01    -0.02  -0.24   0.35
    16   1    -0.01   0.00   0.02    -0.03   0.01  -0.01    -0.25   0.16   0.37
    17   1     0.02   0.00   0.02    -0.05   0.03  -0.03    -0.05   0.12   0.04
    18   1     0.03   0.00   0.02    -0.05   0.03  -0.04     0.03   0.14  -0.02
    19   1     0.03   0.00   0.00    -0.06   0.03  -0.00    -0.01   0.08  -0.00
    20   1    -0.02  -0.01  -0.01     0.03  -0.00   0.02    -0.05  -0.10   0.00
    21   1    -0.01  -0.00   0.00     0.03  -0.00   0.03    -0.12  -0.02   0.05
    22   1    -0.00  -0.01  -0.01     0.01   0.04   0.04    -0.07  -0.08   0.02
    23   1     0.01  -0.02   0.08    -0.06   0.08  -0.40     0.10  -0.06  -0.18
    24   1    -0.03   0.03  -0.10     0.16  -0.20   0.57     0.06  -0.10  -0.10
    25   1    -0.37  -0.33  -0.29    -0.02  -0.14  -0.32     0.19   0.10   0.04
    26   1     0.24   0.45  -0.22     0.03   0.34  -0.20     0.21   0.03   0.01
    27   1     0.12  -0.16   0.55     0.03   0.05   0.08     0.06   0.18   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.6012               242.2567               253.6054
 Red. masses --      1.4369                 1.6578                 2.8640
 Frc consts  --      0.0390                 0.0573                 0.1085
 IR Inten    --      0.6236                 2.1284                 0.5178
 RamAct Fr= 1--      0.5928                 0.8423                 3.2280
  Dep-P Fr= 1--      0.6934                 0.3537                 0.2073
  Dep-U Fr= 1--      0.8190                 0.5226                 0.3434
 Alpha2 Fr= 1--      0.0006                 0.0073                 0.0430
 Beta2  Fr= 1--      0.0809                 0.0734                 0.1847
 AlphaG Fr= 1--      0.0058                -0.0118                 0.0175
 Gamma2 Fr= 1--     -0.0520                 0.0408                 0.0192
 Delta2 Fr= 1--     -0.0347                 0.1257                 0.0544
 Raman1 Fr= 1--       2.371                  3.369                 12.912
 ROA1   Fr= 1--      -6.101                  7.943                  3.585
 CID1   Fr= 1--      -2.573                  2.358                  0.278
 Raman2 Fr= 1--       0.971                  0.880                  2.217
 ROA2   Fr= 1--      -0.971                 -0.025                  0.026
 CID2   Fr= 1--      -1.000                 -0.029                  0.012
 Raman3 Fr= 1--       1.942                  1.761                  4.433
 ROA3   Fr= 1--      -6.101                  7.943                  3.585
 CID3   Fr= 1--      -3.142                  4.511                  0.809
 RC180  Fr= 1--       0.638                  0.045                 -0.313
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.03     0.01  -0.00  -0.01     0.03  -0.02   0.06
     2   6     0.00  -0.03  -0.02    -0.00  -0.02  -0.02    -0.06   0.00   0.03
     3   6    -0.01  -0.00  -0.02    -0.02  -0.04  -0.02    -0.04  -0.06   0.01
     4   6    -0.03   0.04  -0.04    -0.03   0.01  -0.01     0.01  -0.06   0.03
     5   6    -0.02   0.05  -0.00     0.02   0.07   0.02     0.08   0.04   0.02
     6   6    -0.01   0.03   0.00     0.03   0.06   0.01     0.11   0.04  -0.00
     7   8     0.03   0.02   0.01     0.11   0.05  -0.01     0.18   0.04  -0.05
     8   6     0.11   0.00   0.07     0.04  -0.03   0.04    -0.14  -0.00  -0.06
     9   6     0.01  -0.03  -0.05    -0.04  -0.00  -0.06    -0.13   0.04   0.02
    10   6    -0.02  -0.03   0.05    -0.09  -0.06   0.05    -0.15  -0.03  -0.03
    11   6    -0.05  -0.02   0.01    -0.03  -0.02   0.00     0.11   0.02  -0.02
    12   1    -0.06  -0.04  -0.11    -0.12   0.01  -0.14    -0.11   0.08   0.06
    13   1     0.10  -0.05  -0.08     0.04   0.02  -0.10    -0.19   0.07   0.04
    14   1    -0.01   0.04  -0.02    -0.02  -0.01  -0.02    -0.01  -0.09   0.03
    15   1     0.02  -0.11   0.11    -0.07  -0.18   0.11    -0.19  -0.05  -0.06
    16   1    -0.07   0.03   0.11    -0.20   0.01   0.12    -0.17  -0.06  -0.05
    17   1    -0.11   0.04  -0.06     0.34  -0.21   0.06    -0.15   0.09   0.07
    18   1     0.04   0.03  -0.01    -0.30  -0.16  -0.17     0.23   0.06   0.21
    19   1    -0.05  -0.12  -0.04     0.01   0.38   0.10     0.08  -0.23  -0.07
    20   1    -0.21  -0.19  -0.12     0.31   0.06   0.17    -0.45  -0.10  -0.21
    21   1     0.34  -0.21   0.49    -0.03   0.05  -0.22    -0.13  -0.05   0.21
    22   1     0.33   0.45  -0.07    -0.14  -0.20   0.21     0.06   0.12  -0.29
    23   1    -0.07   0.05  -0.08    -0.11   0.02  -0.02    -0.05  -0.06   0.09
    24   1    -0.00   0.04   0.04     0.06   0.06   0.03     0.12   0.04  -0.03
    25   1    -0.09  -0.02   0.02    -0.08  -0.02   0.01     0.12   0.02  -0.03
    26   1    -0.08  -0.03   0.02    -0.08  -0.02   0.01     0.10   0.03  -0.02
    27   1    -0.02  -0.07  -0.01     0.01  -0.09  -0.03     0.10   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    269.0459               282.2763               353.5180
 Red. masses --      1.5683                 1.5923                 2.2972
 Frc consts  --      0.0669                 0.0748                 0.1692
 IR Inten    --      0.3930                 0.2981                 0.3762
 RamAct Fr= 1--      1.3624                 1.5445                 1.2801
  Dep-P Fr= 1--      0.0785                 0.1797                 0.4454
  Dep-U Fr= 1--      0.1456                 0.3047                 0.6163
 Alpha2 Fr= 1--      0.0251                 0.0221                 0.0080
 Beta2  Fr= 1--      0.0331                 0.0784                 0.1315
 AlphaG Fr= 1--      0.0678                 0.0775                -0.0175
 Gamma2 Fr= 1--      0.5343                -0.5307                -0.2338
 Delta2 Fr= 1--      0.0791                -0.2990                -0.0508
 Raman1 Fr= 1--       5.450                  6.178                  5.121
 ROA1   Fr= 1--      53.826                -60.515                -24.068
 CID1   Fr= 1--       9.877                 -9.795                 -4.700
 Raman2 Fr= 1--       0.397                  0.941                  1.578
 ROA2   Fr= 1--      12.190                -10.344                 -5.205
 CID2   Fr= 1--      30.717                -10.989                 -3.299
 Raman3 Fr= 1--       0.794                  1.883                  3.156
 ROA3   Fr= 1--      53.826                -60.515                -24.068
 CID3   Fr= 1--      67.814                -32.145                 -7.627
 RC180  Fr= 1--      -0.709                 -0.391                  0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.08    -0.11   0.02  -0.06    -0.04   0.20   0.02
     2   6    -0.02  -0.01   0.03    -0.01   0.01  -0.03     0.02  -0.06  -0.03
     3   6     0.00   0.02  -0.01    -0.00   0.02   0.02     0.02  -0.07  -0.02
     4   6    -0.02   0.05  -0.13     0.04  -0.04   0.14    -0.00  -0.05  -0.01
     5   6    -0.01  -0.00  -0.03     0.01  -0.03   0.03     0.02  -0.00  -0.01
     6   6    -0.01  -0.01  -0.01     0.02  -0.03   0.01    -0.00   0.04   0.01
     7   8    -0.02  -0.01   0.03    -0.00  -0.01  -0.03     0.00   0.04   0.01
     8   6    -0.06  -0.00  -0.02    -0.03  -0.00  -0.03     0.05   0.02  -0.14
     9   6    -0.01  -0.01   0.06     0.02  -0.00  -0.01    -0.00  -0.07   0.11
    10   6     0.03   0.01  -0.03     0.02   0.03   0.02     0.01  -0.09   0.04
    11   6    -0.00  -0.00   0.00     0.05   0.02  -0.01    -0.06  -0.02   0.01
    12   1     0.05  -0.02   0.12     0.01  -0.01  -0.02     0.09   0.05   0.23
    13   1    -0.09  -0.03   0.09     0.04  -0.03  -0.01    -0.14  -0.17   0.20
    14   1     0.08  -0.01   0.02    -0.08   0.04  -0.00     0.00  -0.04  -0.03
    15   1     0.00   0.07  -0.07     0.04   0.05   0.02    -0.04  -0.10   0.01
    16   1     0.09  -0.02  -0.06     0.03   0.02   0.01     0.06  -0.07   0.06
    17   1     0.46  -0.25   0.21     0.20  -0.18  -0.07    -0.16   0.26   0.25
    18   1    -0.18  -0.19  -0.03    -0.46  -0.14  -0.29     0.04   0.40  -0.19
    19   1     0.18   0.40   0.10    -0.19   0.38   0.13    -0.09   0.30   0.10
    20   1    -0.28  -0.08  -0.13    -0.23  -0.10  -0.14    -0.05   0.17  -0.13
    21   1    -0.01  -0.06   0.19     0.03  -0.07   0.20     0.11  -0.00  -0.22
    22   1     0.09   0.13  -0.18     0.11   0.16  -0.15     0.12   0.02  -0.24
    23   1    -0.04   0.08  -0.27     0.11  -0.09   0.30    -0.04  -0.04  -0.01
    24   1     0.00  -0.04   0.10    -0.03   0.01  -0.12     0.07  -0.00  -0.01
    25   1    -0.01   0.01   0.01     0.11   0.01  -0.03    -0.12  -0.02   0.02
    26   1     0.01  -0.01   0.00     0.07   0.03  -0.02    -0.12  -0.03   0.02
    27   1    -0.01   0.00   0.02     0.02   0.07  -0.01    -0.01  -0.11  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    371.8471               402.6948               480.4199
 Red. masses --      2.2530                 2.4838                 2.4451
 Frc consts  --      0.1835                 0.2373                 0.3325
 IR Inten    --      0.2754                 1.2801                 2.0083
 RamAct Fr= 1--      0.3272                 0.2928                 1.1408
  Dep-P Fr= 1--      0.7296                 0.2826                 0.2976
  Dep-U Fr= 1--      0.8437                 0.4407                 0.4587
 Alpha2 Fr= 1--      0.0001                 0.0032                 0.0118
 Beta2  Fr= 1--      0.0460                 0.0215                 0.0872
 AlphaG Fr= 1--     -0.0026                 0.0031                 0.0508
 Gamma2 Fr= 1--      0.1609                 0.2250                 0.3459
 Delta2 Fr= 1--      0.0189                 0.1581                 0.0750
 Raman1 Fr= 1--       1.309                  1.171                  4.563
 ROA1   Fr= 1--      16.050                 26.658                 35.607
 CID1   Fr= 1--      12.265                 22.762                  7.803
 Raman2 Fr= 1--       0.552                  0.258                  1.047
 ROA2   Fr= 1--       3.710                  4.134                  7.702
 CID2   Fr= 1--       6.720                 16.021                  7.359
 Raman3 Fr= 1--       1.104                  0.516                  2.093
 ROA3   Fr= 1--      16.050                 26.658                 35.607
 CID3   Fr= 1--      14.537                 51.650                 17.012
 RC180  Fr= 1--       0.687                 -0.119                 -0.083
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.02   0.12     0.07   0.06  -0.02    -0.03   0.02  -0.04
     2   6    -0.07  -0.03   0.11    -0.07  -0.06  -0.10     0.17   0.02   0.05
     3   6    -0.04  -0.02   0.07    -0.09   0.04  -0.04     0.04  -0.09   0.09
     4   6    -0.04   0.02  -0.03    -0.08   0.10   0.05    -0.07   0.09  -0.00
     5   6    -0.03   0.01  -0.01    -0.10   0.05   0.04    -0.08   0.07   0.02
     6   6     0.01  -0.03  -0.03    -0.01  -0.09  -0.01    -0.06  -0.03  -0.08
     7   8     0.04  -0.04  -0.00     0.05  -0.09  -0.04     0.03  -0.07   0.02
     8   6     0.02   0.16  -0.07     0.07  -0.04   0.03     0.03  -0.07  -0.05
     9   6     0.04  -0.08  -0.11    -0.06  -0.09   0.05     0.05   0.12   0.01
    10   6     0.05  -0.02  -0.01    -0.00   0.01   0.01    -0.03  -0.08  -0.01
    11   6     0.07   0.03  -0.01     0.13   0.06  -0.01     0.04   0.03   0.00
    12   1    -0.09  -0.31  -0.28     0.02  -0.00   0.14     0.06   0.22   0.05
    13   1     0.27   0.03  -0.24    -0.14  -0.23   0.13    -0.05   0.21   0.02
    14   1     0.03  -0.08   0.10    -0.17   0.07  -0.07     0.00  -0.14   0.08
    15   1     0.14   0.02   0.05    -0.03   0.06  -0.03    -0.04  -0.08  -0.02
    16   1     0.00  -0.04  -0.03     0.11   0.01   0.02    -0.15  -0.13  -0.07
    17   1    -0.09  -0.02   0.11     0.03   0.07   0.20    -0.08   0.06  -0.23
    18   1    -0.10  -0.01   0.09     0.18   0.14  -0.00    -0.13   0.03  -0.18
    19   1    -0.11  -0.02   0.16     0.18   0.13  -0.14    -0.23  -0.05   0.19
    20   1    -0.04   0.46   0.01     0.23  -0.04   0.09    -0.09  -0.13  -0.11
    21   1     0.16   0.10  -0.29     0.18  -0.09  -0.03    -0.15   0.03   0.03
    22   1     0.07   0.16  -0.14    -0.03   0.07   0.21     0.09  -0.23  -0.19
    23   1    -0.07   0.04  -0.10    -0.09   0.08   0.11    -0.23   0.17  -0.21
    24   1    -0.03  -0.01   0.07    -0.21   0.07   0.01    -0.14   0.02   0.25
    25   1     0.12   0.03  -0.01     0.32   0.06  -0.06     0.08   0.08   0.05
    26   1     0.15   0.02  -0.02     0.29   0.07  -0.06     0.25  -0.03  -0.02
    27   1     0.02   0.11   0.04    -0.02   0.31   0.07    -0.04   0.17   0.14
                     16                     17                     18
                      A                      A                      A
 Frequencies --    540.9824               580.2655               595.7584
 Red. masses --      2.6804                 3.3528                 2.5709
 Frc consts  --      0.4622                 0.6651                 0.5376
 IR Inten    --      5.1408                20.7460                 0.4153
 RamAct Fr= 1--      0.7503                 0.3119                 8.1189
  Dep-P Fr= 1--      0.2451                 0.7484                 0.0731
  Dep-U Fr= 1--      0.3937                 0.8561                 0.1362
 Alpha2 Fr= 1--      0.0090                 0.0000                 0.1517
 Beta2  Fr= 1--      0.0492                 0.0445                 0.1843
 AlphaG Fr= 1--      0.0127                -0.0010                 0.1074
 Gamma2 Fr= 1--      0.2386                 0.8764                 0.1660
 Delta2 Fr= 1--      0.2740                 0.0263                -0.5670
 Raman1 Fr= 1--       3.001                  1.247                 32.475
 ROA1   Fr= 1--      31.674                 84.974                 -2.210
 CID1   Fr= 1--      10.553                 68.119                 -0.068
 Raman2 Fr= 1--       0.591                  0.534                  2.212
 ROA2   Fr= 1--       3.534                 20.822                  8.519
 CID2   Fr= 1--       5.983                 38.997                  3.852
 Raman3 Fr= 1--       1.182                  1.068                  4.424
 ROA3   Fr= 1--      31.674                 84.974                 -2.210
 CID3   Fr= 1--      26.807                 79.572                 -0.500
 RC180  Fr= 1--      -0.213                  0.712                 -0.728
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.07     0.02   0.01  -0.05    -0.03  -0.02   0.06
     2   6     0.01  -0.01   0.05     0.02   0.09   0.01     0.06  -0.08   0.03
     3   6     0.10  -0.01  -0.15    -0.01  -0.06  -0.06    -0.02   0.06   0.10
     4   6     0.06   0.17   0.02    -0.09  -0.09  -0.06    -0.01   0.00  -0.07
     5   6     0.01   0.10   0.01    -0.08  -0.06  -0.05    -0.02  -0.02  -0.08
     6   6     0.05  -0.08   0.13    -0.07  -0.05   0.18     0.02  -0.04   0.18
     7   8    -0.13  -0.02  -0.04     0.15  -0.02  -0.10     0.03   0.02  -0.06
     8   6    -0.01   0.01  -0.02    -0.07   0.10   0.05     0.11  -0.13  -0.07
     9   6    -0.02   0.02  -0.00     0.12   0.02   0.03    -0.07   0.03  -0.02
    10   6    -0.03  -0.09  -0.03     0.09  -0.08   0.01    -0.05   0.12   0.01
    11   6     0.04  -0.05  -0.02    -0.11   0.12   0.07    -0.03   0.02   0.03
    12   1    -0.05  -0.02  -0.04     0.20   0.01   0.11    -0.14   0.06  -0.10
    13   1     0.00   0.11  -0.04     0.00   0.02   0.08     0.03   0.05  -0.07
    14   1     0.15  -0.14  -0.12     0.02  -0.10  -0.05     0.05   0.16   0.11
    15   1    -0.13  -0.47   0.05     0.12  -0.25   0.11    -0.05   0.41  -0.11
    16   1    -0.17   0.14   0.21    -0.02   0.05   0.15     0.09  -0.08  -0.20
    17   1    -0.01  -0.02   0.08     0.07  -0.01  -0.17    -0.10   0.02   0.09
    18   1    -0.00  -0.02   0.08    -0.02  -0.07   0.03    -0.03   0.07  -0.08
    19   1    -0.00  -0.02   0.05     0.03  -0.04  -0.07    -0.12  -0.01   0.19
    20   1    -0.10   0.06  -0.03    -0.08   0.04   0.03     0.08  -0.09  -0.07
    21   1    -0.04   0.03  -0.03    -0.15   0.14   0.10     0.11  -0.13  -0.10
    22   1     0.04  -0.04  -0.11    -0.07   0.06   0.04     0.13  -0.17  -0.11
    23   1     0.04   0.10   0.30    -0.06  -0.12   0.05     0.09  -0.02  -0.02
    24   1    -0.22   0.17  -0.20    -0.02  -0.02  -0.20    -0.00  -0.00  -0.14
    25   1     0.22  -0.15  -0.18     0.24  -0.00  -0.16     0.23  -0.12  -0.20
    26   1    -0.18   0.09  -0.03    -0.24   0.30   0.02    -0.32   0.23   0.01
    27   1     0.01  -0.02  -0.18    -0.26   0.36  -0.05    -0.08   0.10  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    637.7184               742.6419               784.4966
 Red. masses --      3.1989                 2.4958                 1.6854
 Frc consts  --      0.7665                 0.8110                 0.6111
 IR Inten    --      4.8846                 0.4617                 0.9506
 RamAct Fr= 1--     14.0493                 6.5084                 1.4143
  Dep-P Fr= 1--      0.1326                 0.0624                 0.2855
  Dep-U Fr= 1--      0.2342                 0.1174                 0.4441
 Alpha2 Fr= 1--      0.2269                 0.1248                 0.0151
 Beta2  Fr= 1--      0.5483                 0.1274                 0.1047
 AlphaG Fr= 1--     -0.2139                -0.0014                 0.0095
 Gamma2 Fr= 1--     -3.1056                 0.7101                 0.4928
 Delta2 Fr= 1--      1.2143                -0.3763                -0.3620
 Raman1 Fr= 1--      56.197                 26.033                  5.657
 ROA1   Fr= 1--    -259.275                 56.126                 35.721
 CID1   Fr= 1--      -4.614                  2.156                  6.314
 Raman2 Fr= 1--       6.579                  1.529                  1.256
 ROA2   Fr= 1--     -84.248                 20.053                 14.723
 CID2   Fr= 1--     -12.805                 13.119                 11.719
 Raman3 Fr= 1--      13.159                  3.057                  2.513
 ROA3   Fr= 1--    -259.275                 56.126                 35.721
 CID3   Fr= 1--     -19.704                 18.360                 14.217
 RC180  Fr= 1--      -0.532                 -0.765                 -0.112
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.11    -0.05  -0.04   0.14     0.02   0.01  -0.00
     2   6     0.00   0.05  -0.02     0.00   0.00  -0.00     0.08   0.04   0.05
     3   6    -0.10  -0.08   0.14    -0.12   0.05  -0.10    -0.03  -0.02  -0.13
     4   6    -0.12  -0.04  -0.04    -0.12  -0.09  -0.01    -0.09  -0.06  -0.02
     5   6    -0.01   0.10  -0.07    -0.04  -0.03   0.04    -0.02   0.00   0.05
     6   6     0.13   0.00   0.10     0.02   0.04  -0.01    -0.01   0.02  -0.01
     7   8    -0.12   0.06   0.01     0.00   0.05   0.01    -0.00   0.02   0.01
     8   6    -0.05   0.07   0.04     0.07  -0.08  -0.05     0.03   0.01   0.01
     9   6     0.06  -0.02   0.01     0.08   0.11  -0.03    -0.05  -0.03   0.07
    10   6     0.02  -0.04   0.03     0.08   0.06  -0.03     0.03   0.04   0.05
    11   6     0.16  -0.14  -0.05     0.07  -0.05  -0.04     0.03  -0.03  -0.03
    12   1     0.13   0.04   0.09     0.32   0.13   0.22    -0.36  -0.07  -0.26
    13   1    -0.03  -0.09   0.07    -0.25   0.17   0.09     0.40  -0.01  -0.11
    14   1    -0.12  -0.02   0.13    -0.16   0.03  -0.11    -0.02  -0.03  -0.12
    15   1     0.14   0.19   0.02     0.26  -0.21   0.22    -0.21   0.17  -0.17
    16   1     0.02  -0.20  -0.13    -0.16   0.30   0.22     0.45   0.03   0.04
    17   1     0.05   0.03  -0.21    -0.05  -0.04   0.14     0.02   0.02  -0.09
    18   1    -0.01  -0.01  -0.09    -0.06  -0.06   0.15    -0.01  -0.00  -0.02
    19   1     0.00  -0.00  -0.08    -0.06  -0.06   0.15    -0.03  -0.03   0.06
    20   1     0.01   0.00   0.04     0.07  -0.08  -0.05    -0.09  -0.03  -0.04
    21   1    -0.07   0.07   0.08     0.09  -0.09  -0.06    -0.18   0.13   0.06
    22   1    -0.09   0.09   0.11     0.07  -0.08  -0.06     0.07  -0.19  -0.13
    23   1    -0.28   0.01  -0.13    -0.11  -0.12   0.09    -0.17  -0.09   0.14
    24   1     0.06   0.06   0.05     0.02   0.01  -0.12    -0.04   0.06  -0.16
    25   1     0.25  -0.25  -0.22    -0.01  -0.02   0.01     0.00   0.01   0.02
    26   1    -0.17   0.02  -0.04     0.10  -0.09  -0.03     0.11  -0.07  -0.02
    27   1     0.23  -0.26  -0.29     0.12  -0.13  -0.02     0.04  -0.04   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    863.6196               875.4091               896.4219
 Red. masses --      1.9722                 1.7921                 2.5208
 Frc consts  --      0.8666                 0.8092                 1.1935
 IR Inten    --      4.0762                 4.1598                 6.6631
 RamAct Fr= 1--     20.4861                16.0261                10.9426
  Dep-P Fr= 1--      0.6441                 0.6743                 0.5979
  Dep-U Fr= 1--      0.7835                 0.8054                 0.7483
 Alpha2 Fr= 1--      0.0391                 0.0215                 0.0309
 Beta2  Fr= 1--      2.6753                 2.1514                 1.3648
 AlphaG Fr= 1--      0.1563                -0.1836                 0.1607
 Gamma2 Fr= 1--     -1.5966                 2.9070                 4.8414
 Delta2 Fr= 1--     -1.4794                -1.0515                 1.0077
 Raman1 Fr= 1--      81.944                 64.104                 43.770
 ROA1   Fr= 1--    -200.613                245.428                497.025
 CID1   Fr= 1--      -2.448                  3.829                 11.355
 Raman2 Fr= 1--      32.104                 25.816                 16.377
 ROA2   Fr= 1--     -26.483                 78.181                108.133
 CID2   Fr= 1--      -0.825                  3.028                  6.603
 Raman3 Fr= 1--      64.207                 51.633                 32.755
 ROA3   Fr= 1--    -200.613                245.428                497.025
 CID3   Fr= 1--      -3.124                  4.753                 15.174
 RC180  Fr= 1--       0.567                  0.611                  0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02   0.03     0.02   0.01   0.00     0.02   0.01  -0.00
     2   6    -0.10  -0.01  -0.07     0.06   0.03   0.03     0.02   0.01   0.01
     3   6     0.06  -0.08  -0.04    -0.03   0.04  -0.04     0.04  -0.08   0.00
     4   6     0.00  -0.05   0.08     0.04  -0.00   0.12    -0.02  -0.09  -0.01
     5   6     0.01   0.07  -0.08    -0.07  -0.03  -0.13     0.15   0.18  -0.00
     6   6    -0.01  -0.01  -0.00     0.01   0.02   0.00    -0.02  -0.06  -0.01
     7   8    -0.01  -0.02   0.00     0.02   0.03   0.01    -0.04  -0.08  -0.01
     8   6    -0.01  -0.04  -0.04     0.03   0.02   0.01     0.02   0.01   0.01
     9   6     0.04   0.14   0.06    -0.07  -0.09  -0.00    -0.08  -0.06  -0.06
    10   6     0.06   0.01   0.04     0.01   0.03  -0.05     0.02   0.17   0.00
    11   6    -0.01  -0.01   0.02     0.03  -0.00   0.03    -0.07  -0.02   0.02
    12   1    -0.18   0.14  -0.18    -0.03  -0.18   0.03     0.11  -0.10   0.14
    13   1     0.31   0.19  -0.06    -0.08  -0.06  -0.01    -0.26  -0.16   0.04
    14   1    -0.10  -0.06  -0.09    -0.20  -0.13  -0.07     0.15  -0.06   0.03
    15   1    -0.13   0.04  -0.10     0.00  -0.21   0.04     0.22   0.04   0.20
    16   1     0.20  -0.01   0.02    -0.01   0.24   0.17    -0.05   0.32   0.16
    17   1     0.01  -0.09   0.27    -0.00   0.03  -0.08     0.00   0.03  -0.09
    18   1     0.05  -0.02   0.17    -0.01   0.00  -0.03    -0.03  -0.01  -0.02
    19   1     0.14   0.10  -0.20    -0.05  -0.03   0.08    -0.04  -0.04   0.06
    20   1     0.09  -0.03   0.00    -0.05  -0.05  -0.04    -0.05  -0.00  -0.02
    21   1     0.15  -0.14  -0.06    -0.15   0.12   0.06    -0.08   0.06   0.01
    22   1    -0.05   0.14   0.08     0.06  -0.16  -0.09     0.04  -0.09  -0.06
    23   1    -0.20   0.04  -0.19     0.08   0.10  -0.31    -0.34  -0.06   0.06
    24   1     0.15  -0.07   0.43     0.05  -0.23   0.59     0.34   0.15   0.09
    25   1     0.12  -0.06  -0.07     0.07  -0.08  -0.09     0.14  -0.00  -0.01
    26   1    -0.06   0.08  -0.00    -0.17   0.10   0.03     0.11   0.03  -0.04
    27   1    -0.07   0.08  -0.03     0.06  -0.07  -0.12    -0.23   0.26   0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --    917.3950               948.3523               960.4213
 Red. masses --      2.1238                 2.2606                 1.6649
 Frc consts  --      1.0531                 1.1979                 0.9048
 IR Inten    --      0.2418                12.4031                12.7633
 RamAct Fr= 1--      7.8779                 2.2483                 8.2755
  Dep-P Fr= 1--      0.4176                 0.6213                 0.2963
  Dep-U Fr= 1--      0.5891                 0.7664                 0.4572
 Alpha2 Fr= 1--      0.0547                 0.0053                 0.0858
 Beta2  Fr= 1--      0.7735                 0.2872                 0.6306
 AlphaG Fr= 1--     -0.0162                 0.0327                 0.0615
 Gamma2 Fr= 1--      0.9882                 3.8460                 0.5602
 Delta2 Fr= 1--      0.0713                 1.2431                 0.5056
 Raman1 Fr= 1--      31.512                  8.993                 33.102
 ROA1   Fr= 1--      97.149                408.990                 69.961
 CID1   Fr= 1--       3.083                 45.478                  2.113
 Raman2 Fr= 1--       9.282                  3.446                  7.567
 ROA2   Fr= 1--      23.146                 82.358                  9.401
 CID2   Fr= 1--       2.494                 23.898                  1.242
 Raman3 Fr= 1--      18.564                  6.892                 15.133
 ROA3   Fr= 1--      97.149                408.990                 69.961
 CID3   Fr= 1--       5.233                 59.339                  4.623
 RC180  Fr= 1--       0.178                  0.533                 -0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.15     0.02  -0.05   0.01    -0.03   0.10  -0.04
     2   6     0.07   0.07  -0.08     0.03  -0.05  -0.02    -0.04   0.04   0.06
     3   6    -0.06   0.05  -0.07    -0.08   0.01  -0.01    -0.07   0.02  -0.01
     4   6     0.03  -0.01   0.02     0.02   0.02  -0.00     0.00   0.00   0.01
     5   6     0.06   0.06  -0.02     0.05   0.02  -0.00     0.04   0.03  -0.00
     6   6     0.02  -0.03  -0.01     0.06  -0.03  -0.02     0.07  -0.04  -0.03
     7   8    -0.02  -0.04  -0.00    -0.02  -0.05  -0.01    -0.02  -0.05  -0.01
     8   6     0.01   0.05  -0.01    -0.02   0.06   0.01     0.05  -0.10   0.04
     9   6     0.10  -0.06  -0.03    -0.15   0.07  -0.07    -0.00   0.00   0.01
    10   6    -0.09  -0.08   0.03     0.16  -0.12   0.07     0.01  -0.05   0.01
    11   6    -0.03   0.02   0.02    -0.02   0.07   0.02    -0.02   0.07   0.02
    12   1     0.11   0.25   0.03    -0.14   0.20  -0.03     0.00  -0.06   0.01
    13   1     0.04  -0.36   0.10    -0.33   0.33  -0.10    -0.03   0.10  -0.01
    14   1    -0.22   0.32  -0.16    -0.16   0.07  -0.04    -0.11   0.05  -0.03
    15   1    -0.11   0.23  -0.11     0.28   0.07   0.09     0.07   0.04   0.02
    16   1     0.01  -0.31  -0.22     0.39  -0.11   0.10     0.03  -0.08  -0.02
    17   1    -0.00  -0.03  -0.04    -0.12   0.03   0.14     0.21  -0.04  -0.28
    18   1    -0.12  -0.13   0.22     0.05   0.12  -0.23    -0.08  -0.21   0.37
    19   1    -0.09  -0.13   0.20    -0.09   0.03   0.17     0.15  -0.06  -0.31
    20   1     0.07  -0.16  -0.06     0.03  -0.10  -0.02    -0.19   0.27   0.06
    21   1    -0.14   0.12   0.12    -0.12   0.11   0.13     0.11  -0.10  -0.23
    22   1    -0.06  -0.02   0.05    -0.09   0.02   0.08     0.24  -0.18  -0.26
    23   1    -0.02   0.02  -0.06     0.05   0.03  -0.04    -0.02   0.01  -0.02
    24   1     0.12   0.03   0.09     0.02   0.03  -0.05     0.01   0.03  -0.01
    25   1    -0.01   0.01   0.00    -0.18   0.06   0.04    -0.20   0.06   0.04
    26   1    -0.05   0.04   0.01    -0.17   0.05   0.07    -0.19   0.05   0.08
    27   1    -0.06   0.06   0.02     0.06  -0.08  -0.03     0.08  -0.10  -0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --    968.2197               980.4561              1003.1371
 Red. masses --      1.7288                 1.7372                 1.6633
 Frc consts  --      0.9549                 0.9839                 0.9862
 IR Inten    --     26.2578                 1.3638                 2.2693
 RamAct Fr= 1--     12.1412                 9.2538                 7.7722
  Dep-P Fr= 1--      0.1523                 0.2759                 0.3874
  Dep-U Fr= 1--      0.2644                 0.4325                 0.5585
 Alpha2 Fr= 1--      0.1866                 0.1019                 0.0602
 Beta2  Fr= 1--      0.5350                 0.6671                 0.7234
 AlphaG Fr= 1--      0.2220                 0.0532                -0.4768
 Gamma2 Fr= 1--     -0.5452                -0.1930                -0.9658
 Delta2 Fr= 1--     -0.4931                -0.3733                 0.5301
 Raman1 Fr= 1--      48.565                 37.015                 31.089
 ROA1   Fr= 1--     -68.119                -30.471                -75.756
 CID1   Fr= 1--      -1.403                 -0.823                 -2.437
 Raman2 Fr= 1--       6.421                  8.005                  8.681
 ROA2   Fr= 1--      -9.140                 -1.645                -27.420
 CID2   Fr= 1--      -1.424                 -0.206                 -3.159
 Raman3 Fr= 1--      12.841                 16.010                 17.362
 ROA3   Fr= 1--     -68.119                -30.471                -75.756
 CID3   Fr= 1--      -5.305                 -1.903                 -4.363
 RC180  Fr= 1--      -0.471                 -0.135                  0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.01   0.06   0.06     0.05  -0.05  -0.04
     2   6    -0.00   0.02  -0.03    -0.00   0.02  -0.04     0.04  -0.11   0.02
     3   6     0.03  -0.08   0.01     0.09  -0.08   0.00     0.01   0.01  -0.08
     4   6    -0.03   0.01  -0.01     0.01   0.03   0.00    -0.02  -0.02   0.01
     5   6    -0.03  -0.01   0.02    -0.07  -0.06  -0.00    -0.02   0.02  -0.03
     6   6     0.10  -0.04  -0.03    -0.04   0.03   0.01     0.01  -0.00  -0.00
     7   8    -0.01  -0.06  -0.02     0.02   0.04   0.01     0.00  -0.01  -0.00
     8   6    -0.01   0.01  -0.04    -0.03  -0.02   0.00    -0.08   0.00   0.11
     9   6     0.04  -0.01   0.01    -0.08  -0.00  -0.11     0.07   0.03  -0.03
    10   6    -0.03   0.11  -0.01     0.05   0.01   0.06    -0.05   0.04   0.02
    11   6     0.02   0.14   0.03     0.03  -0.03  -0.01     0.01   0.02  -0.00
    12   1     0.02   0.02   0.00    -0.03   0.45   0.02     0.10   0.23   0.04
    13   1     0.13  -0.21   0.05    -0.25  -0.33   0.07    -0.04  -0.05   0.04
    14   1     0.07  -0.26   0.05     0.15  -0.10   0.02     0.02   0.20  -0.11
    15   1    -0.11  -0.04  -0.01    -0.02   0.07  -0.02    -0.04   0.16  -0.02
    16   1    -0.05   0.19   0.07     0.29   0.00   0.06    -0.02  -0.05  -0.07
    17   1    -0.04   0.02   0.01     0.12   0.00  -0.33    -0.08   0.03   0.07
    18   1    -0.02   0.02  -0.06    -0.17  -0.21   0.28     0.07   0.13  -0.29
    19   1    -0.06  -0.02   0.11    -0.04  -0.18   0.03    -0.07   0.02   0.14
    20   1     0.13  -0.13  -0.03    -0.01   0.13   0.06    -0.28   0.47   0.18
    21   1     0.02  -0.02   0.07     0.14  -0.11  -0.11     0.12  -0.07  -0.21
    22   1    -0.10   0.11   0.12    -0.00   0.11   0.01     0.11   0.06  -0.13
    23   1    -0.19   0.02   0.03     0.01   0.02   0.04    -0.06  -0.08   0.25
    24   1    -0.25   0.01  -0.03    -0.15  -0.06   0.05     0.01  -0.08   0.33
    25   1    -0.41   0.10   0.07     0.06  -0.03  -0.02    -0.07   0.02   0.02
    26   1    -0.38   0.06   0.15     0.05  -0.03  -0.02    -0.04  -0.01   0.02
    27   1     0.27  -0.31  -0.14     0.03  -0.02  -0.01     0.06  -0.06  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1009.7610              1024.5820              1049.8104
 Red. masses --      1.4208                 1.2707                 1.7335
 Frc consts  --      0.8536                 0.7859                 1.1257
 IR Inten    --      1.9126                28.0654                 0.2140
 RamAct Fr= 1--     11.2386                 1.2813                 1.8507
  Dep-P Fr= 1--      0.3315                 0.4164                 0.5451
  Dep-U Fr= 1--      0.4980                 0.5880                 0.7056
 Alpha2 Fr= 1--      0.1047                 0.0089                 0.0073
 Beta2  Fr= 1--      0.9327                 0.1256                 0.2176
 AlphaG Fr= 1--      0.3957                 0.3671                 0.2095
 Gamma2 Fr= 1--      4.8469                 0.8394                 0.4927
 Delta2 Fr= 1--      0.6956                -0.7929                -0.4671
 Raman1 Fr= 1--      44.954                  5.125                  7.403
 ROA1   Fr= 1--     487.566                 55.214                 32.358
 CID1   Fr= 1--      10.846                 10.773                  4.371
 Raman2 Fr= 1--      11.193                  1.507                  2.612
 ROA2   Fr= 1--     110.761                 26.489                 15.563
 CID2   Fr= 1--       9.896                 17.579                  5.959
 Raman3 Fr= 1--      22.386                  3.014                  5.223
 ROA3   Fr= 1--     487.566                 55.214                 32.358
 CID3   Fr= 1--      21.780                 18.321                  6.195
 RC180  Fr= 1--      -0.004                  0.176                  0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03  -0.01     0.02   0.02   0.01    -0.01  -0.01  -0.00
     2   6    -0.00   0.01  -0.03    -0.02   0.03   0.01     0.01  -0.01  -0.01
     3   6     0.09  -0.05   0.01    -0.02   0.02   0.02    -0.00  -0.01   0.00
     4   6    -0.02   0.01  -0.02    -0.02   0.01  -0.07     0.02  -0.01   0.06
     5   6    -0.05  -0.02   0.00    -0.00   0.02  -0.05    -0.01   0.01  -0.05
     6   6    -0.00   0.01   0.01     0.02  -0.02   0.06     0.04  -0.05   0.18
     7   8     0.01   0.01  -0.00    -0.01  -0.00  -0.01    -0.01   0.01  -0.03
     8   6     0.07   0.05   0.03     0.01  -0.01  -0.05     0.00   0.00   0.02
     9   6    -0.02  -0.01  -0.04    -0.01  -0.01   0.03     0.00   0.00  -0.01
    10   6     0.00   0.02   0.03     0.01  -0.04  -0.01    -0.00   0.02   0.00
    11   6     0.02   0.02  -0.01    -0.01   0.02  -0.06    -0.03   0.03  -0.13
    12   1     0.08  -0.08   0.06    -0.05  -0.09  -0.02     0.01   0.07   0.00
    13   1    -0.12  -0.01  -0.00     0.03   0.08  -0.02     0.01  -0.07   0.02
    14   1     0.07   0.26  -0.04     0.11  -0.01   0.06    -0.11  -0.08  -0.02
    15   1     0.15   0.15   0.09     0.02  -0.04  -0.00    -0.03  -0.01  -0.01
    16   1    -0.12  -0.12  -0.11     0.02  -0.01   0.01     0.00   0.04   0.02
    17   1     0.01  -0.11   0.34     0.03   0.03  -0.13    -0.01  -0.01   0.06
    18   1     0.10   0.02   0.17    -0.05  -0.04   0.03     0.02   0.02  -0.00
    19   1     0.19   0.15  -0.31    -0.04  -0.06   0.06     0.02   0.03  -0.03
    20   1    -0.12  -0.10  -0.09     0.14  -0.14  -0.04    -0.06   0.06   0.02
    21   1    -0.30   0.26   0.11     0.04  -0.05   0.04    -0.02   0.02  -0.02
    22   1     0.10  -0.29  -0.15    -0.07   0.07   0.09     0.03  -0.03  -0.04
    23   1    -0.07  -0.04   0.21     0.14  -0.18   0.60    -0.06   0.13  -0.45
    24   1    -0.13  -0.05   0.14     0.14  -0.14   0.52    -0.02   0.04  -0.17
    25   1    -0.08   0.02   0.02    -0.15   0.13   0.13    -0.30   0.30   0.28
    26   1    -0.02  -0.03   0.02     0.15  -0.15  -0.02     0.38  -0.36  -0.05
    27   1     0.09  -0.09  -0.02     0.03  -0.03   0.12     0.05  -0.06   0.28
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1089.9768              1156.1786              1172.4305
 Red. masses --      1.3648                 2.0951                 1.6569
 Frc consts  --      0.9554                 1.6501                 1.3419
 IR Inten    --     10.0059                 8.7249                15.9559
 RamAct Fr= 1--      8.6871                 6.8157                76.4350
  Dep-P Fr= 1--      0.3533                 0.2417                 0.3672
  Dep-U Fr= 1--      0.5221                 0.3893                 0.5372
 Alpha2 Fr= 1--      0.0755                 0.0827                 0.6340
 Beta2  Fr= 1--      0.7559                 0.4422                 6.8434
 AlphaG Fr= 1--     -0.0890                 0.0889                 0.2968
 Gamma2 Fr= 1--      0.1469                -2.9200                 5.2346
 Delta2 Fr= 1--      1.2025                -1.5675                 0.1286
 Raman1 Fr= 1--      34.748                 27.263                305.740
 ROA1   Fr= 1--      52.585               -330.477                506.641
 CID1   Fr= 1--       1.513                -12.122                  1.657
 Raman2 Fr= 1--       9.071                  5.306                 82.121
 ROA2   Fr= 1--      -6.094                -57.539                124.603
 CID2   Fr= 1--      -0.672                -10.844                  1.517
 Raman3 Fr= 1--      18.141                 10.613                164.242
 ROA3   Fr= 1--      52.585               -330.477                506.641
 CID3   Fr= 1--       2.899                -31.140                  3.085
 RC180  Fr= 1--       0.044                 -0.221                  0.074
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.02    -0.04  -0.01  -0.01    -0.05  -0.02  -0.05
     2   6     0.00   0.01   0.02     0.04  -0.00  -0.02     0.05   0.03   0.12
     3   6     0.10   0.02  -0.06     0.08   0.17   0.09    -0.05   0.05  -0.07
     4   6    -0.02  -0.05   0.06    -0.08  -0.10   0.02     0.01  -0.02   0.04
     5   6    -0.04   0.01  -0.00    -0.01   0.07   0.02    -0.01   0.01  -0.01
     6   6    -0.02  -0.00   0.02    -0.06  -0.00   0.01     0.02   0.00  -0.01
     7   8     0.01  -0.00  -0.00     0.00  -0.04  -0.01    -0.00   0.00   0.00
     8   6    -0.03  -0.01  -0.04    -0.01   0.01   0.01    -0.01  -0.00  -0.05
     9   6    -0.04  -0.02   0.02    -0.02  -0.04  -0.02     0.06  -0.05  -0.06
    10   6    -0.01  -0.02   0.02     0.04  -0.07  -0.10    -0.09  -0.02   0.05
    11   6     0.02   0.01  -0.01     0.05   0.03  -0.00    -0.01  -0.01   0.00
    12   1     0.04  -0.36   0.04    -0.16   0.35  -0.09     0.16   0.12   0.07
    13   1    -0.10   0.33  -0.08    -0.01  -0.14   0.01    -0.22   0.16  -0.02
    14   1     0.19   0.47  -0.09     0.34   0.25   0.17     0.48  -0.36   0.16
    15   1     0.17   0.13   0.08    -0.27  -0.41  -0.18     0.01   0.24   0.02
    16   1    -0.14  -0.16  -0.14     0.13   0.12   0.11     0.34  -0.01   0.07
    17   1     0.03   0.05  -0.20     0.01  -0.05   0.12     0.02  -0.07   0.18
    18   1    -0.07  -0.04  -0.01     0.04   0.01   0.07     0.12   0.06   0.05
    19   1    -0.07  -0.09   0.11     0.06   0.06  -0.10     0.13   0.15  -0.23
    20   1     0.13  -0.05   0.01    -0.03   0.04   0.02     0.17  -0.11  -0.02
    21   1     0.12  -0.12   0.00    -0.01   0.01  -0.01     0.07  -0.07   0.07
    22   1    -0.10   0.17   0.12     0.01   0.01  -0.01    -0.08   0.09   0.09
    23   1    -0.29   0.04  -0.18    -0.12  -0.08  -0.08    -0.06   0.02  -0.06
    24   1    -0.13   0.03  -0.04     0.23   0.07  -0.05    -0.08  -0.01   0.06
    25   1    -0.06   0.01   0.01    -0.10  -0.01  -0.02     0.02  -0.00   0.00
    26   1    -0.02  -0.02   0.02    -0.08  -0.02   0.05     0.01   0.01  -0.01
    27   1     0.08  -0.08  -0.02     0.15  -0.15  -0.07    -0.03   0.03   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1185.4253              1198.2971              1224.8745
 Red. masses --      1.8120                 1.9130                 1.5127
 Frc consts  --      1.5002                 1.6184                 1.3372
 IR Inten    --     14.7968                60.7830                 5.8358
 RamAct Fr= 1--      1.4697                 4.3862                15.8654
  Dep-P Fr= 1--      0.7497                 0.7224                 0.4546
  Dep-U Fr= 1--      0.8570                 0.8388                 0.6250
 Alpha2 Fr= 1--      0.0000                 0.0021                 0.0955
 Beta2  Fr= 1--      0.2099                 0.6132                 1.6527
 AlphaG Fr= 1--      0.0004                -0.0141                 0.0138
 Gamma2 Fr= 1--     -0.4799                 1.3785                -2.2246
 Delta2 Fr= 1--     -0.3504                 1.2399                -1.1773
 Raman1 Fr= 1--       5.879                 17.545                 63.462
 ROA1   Fr= 1--     -57.285                172.016               -251.233
 CID1   Fr= 1--      -9.744                  9.804                 -3.959
 Raman2 Fr= 1--       2.519                  7.359                 19.832
 ROA2   Fr= 1--      -8.714                 23.166                -43.972
 CID2   Fr= 1--      -3.459                  3.148                 -2.217
 Raman3 Fr= 1--       5.038                 14.717                 39.664
 ROA3   Fr= 1--     -57.285                172.016               -251.233
 CID3   Fr= 1--     -11.371                 11.688                 -6.334
 RC180  Fr= 1--       0.714                  0.678                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.00     0.01  -0.00   0.00     0.03   0.04   0.02
     2   6     0.19   0.00  -0.00    -0.03  -0.01  -0.01    -0.10  -0.09  -0.04
     3   6     0.02  -0.05   0.06     0.01   0.06   0.03     0.03  -0.02   0.04
     4   6    -0.01   0.02  -0.05    -0.02  -0.05   0.01     0.00   0.01  -0.01
     5   6     0.00  -0.02   0.01    -0.01  -0.04  -0.01     0.01  -0.00   0.00
     6   6     0.04  -0.00  -0.01     0.22  -0.01  -0.05    -0.01  -0.00   0.01
     7   8    -0.00   0.01   0.00    -0.02   0.05   0.02     0.00  -0.00  -0.00
     8   6    -0.09  -0.01  -0.02     0.02   0.00   0.01     0.05   0.04   0.01
     9   6    -0.01  -0.06   0.02    -0.01   0.00  -0.01     0.10  -0.05  -0.02
    10   6    -0.04   0.03  -0.05     0.04  -0.02  -0.02    -0.07   0.02   0.01
    11   6    -0.02  -0.01   0.00    -0.10  -0.05   0.01     0.00   0.00  -0.00
    12   1    -0.03  -0.03  -0.00    -0.04   0.07  -0.02     0.15   0.02   0.04
    13   1    -0.07   0.26  -0.07     0.00  -0.05   0.01    -0.25   0.55  -0.10
    14   1    -0.52   0.25  -0.15     0.15   0.15   0.06    -0.13   0.10  -0.02
    15   1     0.02  -0.07   0.03    -0.15  -0.17  -0.10    -0.34  -0.05  -0.15
    16   1     0.18   0.23   0.16    -0.02   0.00  -0.00     0.40   0.18   0.19
    17   1     0.09  -0.10   0.14    -0.01   0.01  -0.02     0.03   0.05  -0.20
    18   1     0.07  -0.01   0.21    -0.01  -0.00  -0.02    -0.11  -0.07  -0.01
    19   1     0.12   0.07  -0.22    -0.02  -0.01   0.04    -0.04  -0.11   0.05
    20   1     0.08   0.14   0.10    -0.03  -0.01  -0.01    -0.08  -0.09  -0.08
    21   1     0.14  -0.14  -0.02    -0.04   0.04  -0.00    -0.16   0.15   0.07
    22   1    -0.10   0.30   0.13     0.03  -0.06  -0.03    -0.00  -0.14  -0.00
    23   1     0.02  -0.02   0.09    -0.32  -0.02   0.03    -0.01   0.01   0.00
    24   1    -0.06  -0.01  -0.02    -0.60  -0.04   0.12     0.00   0.00  -0.01
    25   1     0.03   0.01   0.02     0.12   0.06   0.08    -0.01  -0.00  -0.00
    26   1     0.02   0.01  -0.02     0.08   0.10  -0.08    -0.00  -0.01   0.00
    27   1    -0.07   0.07   0.04    -0.33   0.35   0.17     0.02  -0.02  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1245.7561              1267.5923              1282.9241
 Red. masses --      1.6186                 1.4689                 1.9230
 Frc consts  --      1.4800                 1.3906                 1.8648
 IR Inten    --     10.2939                 4.8132                 4.6136
 RamAct Fr= 1--     15.7533                 3.2660                 9.0145
  Dep-P Fr= 1--      0.3017                 0.4676                 0.3471
  Dep-U Fr= 1--      0.4636                 0.6372                 0.5153
 Alpha2 Fr= 1--      0.1607                 0.0186                 0.0799
 Beta2  Fr= 1--      1.2171                 0.3469                 0.7742
 AlphaG Fr= 1--      0.0927                -0.0136                -0.0649
 Gamma2 Fr= 1--     -0.2145                 2.3748                 2.1035
 Delta2 Fr= 1--     -3.1359                 1.1541                 1.2413
 Raman1 Fr= 1--      63.013                 13.064                 36.058
 ROA1   Fr= 1--    -120.942                264.917                241.658
 CID1   Fr= 1--      -1.919                 20.279                  6.702
 Raman2 Fr= 1--      14.605                  4.162                  9.291
 ROA2   Fr= 1--      19.939                 47.763                 40.554
 CID2   Fr= 1--       1.365                 11.475                  4.365
 Raman3 Fr= 1--      29.211                  8.325                 18.581
 ROA3   Fr= 1--    -120.942                264.917                241.658
 CID3   Fr= 1--      -4.140                 31.823                 13.006
 RC180  Fr= 1--      -0.073                  0.274                  0.031
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07  -0.00     0.02  -0.02   0.02     0.01  -0.06   0.02
     2   6    -0.04   0.17  -0.01    -0.04   0.04  -0.08     0.00   0.18  -0.11
     3   6     0.02  -0.03   0.04     0.00  -0.02   0.01     0.01   0.02   0.01
     4   6     0.01   0.00  -0.01     0.02   0.01   0.01     0.00  -0.00  -0.02
     5   6     0.01  -0.00   0.00    -0.00  -0.01  -0.00     0.01  -0.00   0.00
     6   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
     7   8     0.00   0.00  -0.00     0.00   0.01   0.00     0.00  -0.00  -0.00
     8   6     0.01  -0.06   0.02     0.02  -0.01   0.03    -0.01  -0.06   0.04
     9   6    -0.01   0.07  -0.05     0.03  -0.04   0.08     0.01  -0.14   0.01
    10   6    -0.05  -0.06  -0.00    -0.09  -0.04  -0.10     0.06   0.04   0.07
    11   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   1     0.24  -0.49   0.11    -0.24   0.32  -0.13    -0.10   0.13  -0.05
    13   1    -0.03  -0.25   0.06     0.12   0.14  -0.02    -0.26   0.51  -0.12
    14   1    -0.05   0.22  -0.01     0.21   0.03   0.07    -0.02  -0.34   0.04
    15   1    -0.12  -0.04  -0.06     0.63   0.19   0.33    -0.23  -0.08  -0.09
    16   1     0.50   0.11   0.20     0.20   0.19   0.15    -0.28  -0.22  -0.20
    17   1    -0.15   0.04   0.15    -0.06   0.03   0.01    -0.13   0.03   0.14
    18   1     0.06   0.08  -0.17    -0.02  -0.00  -0.05     0.05   0.05  -0.08
    19   1    -0.06   0.11   0.15    -0.04  -0.00   0.09    -0.04   0.11   0.13
    20   1    -0.03   0.06   0.03    -0.08   0.06   0.01    -0.06   0.14   0.07
    21   1     0.11  -0.09  -0.16    -0.04   0.03  -0.07     0.05  -0.05  -0.18
    22   1     0.11  -0.02  -0.11     0.08  -0.04  -0.07     0.14   0.06  -0.12
    23   1    -0.01   0.00   0.01    -0.05   0.03  -0.01    -0.05  -0.01   0.04
    24   1    -0.06   0.00   0.01    -0.07  -0.01  -0.01    -0.03   0.00   0.00
    25   1    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
    26   1     0.00  -0.01   0.00     0.01   0.00  -0.00     0.00  -0.01   0.00
    27   1     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1311.1183              1325.3571              1342.3203
 Red. masses --      1.7779                 1.7302                 1.4733
 Frc consts  --      1.8007                 1.7907                 1.5640
 IR Inten    --     48.0088                31.0164                17.1671
 RamAct Fr= 1--     22.0665                 1.3027                31.0222
  Dep-P Fr= 1--      0.2366                 0.7310                 0.2471
  Dep-U Fr= 1--      0.3827                 0.8446                 0.3963
 Alpha2 Fr= 1--      0.2714                 0.0004                 0.3706
 Beta2  Fr= 1--      1.4075                 0.1834                 2.0492
 AlphaG Fr= 1--      0.1502                -0.0055                -0.0294
 Gamma2 Fr= 1--      4.6776                 0.9271                 0.0505
 Delta2 Fr= 1--      2.5584                 0.1277                -0.1980
 Raman1 Fr= 1--      88.266                  5.211                124.089
 ROA1   Fr= 1--     530.922                 93.091                 -1.487
 CID1   Fr= 1--       6.015                 17.865                 -0.012
 Raman2 Fr= 1--      16.891                  2.201                 24.590
 ROA2   Fr= 1--      91.796                 21.230                  2.796
 CID2   Fr= 1--       5.435                  9.647                  0.114
 Raman3 Fr= 1--      33.781                  4.401                 49.180
 ROA3   Fr= 1--     530.922                 93.091                 -1.487
 CID3   Fr= 1--      15.717                 21.151                 -0.030
 RC180  Fr= 1--      -0.235                  0.689                 -0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.03     0.02  -0.02  -0.02     0.00  -0.00   0.00
     2   6    -0.08   0.06   0.17    -0.07   0.06   0.10    -0.00   0.00  -0.01
     3   6    -0.03  -0.04   0.00     0.08  -0.06  -0.03     0.06   0.04  -0.00
     4   6     0.06   0.05  -0.01    -0.08  -0.02   0.01    -0.06   0.10   0.04
     5   6     0.06  -0.06  -0.03    -0.09   0.05   0.04    -0.04  -0.11  -0.02
     6   6    -0.07   0.00   0.02     0.10  -0.01  -0.02     0.08  -0.00  -0.02
     7   8     0.01   0.01  -0.00    -0.02  -0.01   0.00    -0.01  -0.00   0.00
     8   6     0.02  -0.01  -0.04     0.01  -0.01  -0.03     0.00  -0.00   0.00
     9   6     0.02  -0.05  -0.02     0.02  -0.05  -0.01    -0.00   0.01  -0.01
    10   6     0.04   0.01  -0.03     0.00   0.02   0.00    -0.02  -0.02   0.01
    11   6     0.00   0.01   0.00    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00
    12   1    -0.13   0.47  -0.08    -0.07   0.27  -0.05     0.02  -0.06   0.00
    13   1    -0.04  -0.09   0.02    -0.08   0.00   0.01    -0.03  -0.02   0.01
    14   1    -0.27   0.37  -0.12    -0.11   0.24  -0.12    -0.02  -0.11  -0.00
    15   1    -0.04  -0.11  -0.03     0.02   0.01   0.02     0.02   0.03   0.02
    16   1    -0.08   0.04  -0.01    -0.04  -0.01  -0.03     0.04  -0.04  -0.01
    17   1    -0.06   0.03  -0.05    -0.06   0.04  -0.04    -0.00   0.00  -0.00
    18   1     0.08   0.11  -0.17     0.04   0.07  -0.13     0.00  -0.00   0.00
    19   1     0.05   0.13  -0.04     0.02   0.08   0.00    -0.01   0.01   0.01
    20   1     0.11  -0.12  -0.04     0.07  -0.09  -0.03    -0.01   0.01   0.00
    21   1     0.07  -0.06   0.06     0.07  -0.05   0.02    -0.01   0.01  -0.01
    22   1    -0.03  -0.06   0.02    -0.01  -0.06  -0.01     0.01   0.01  -0.00
    23   1    -0.51   0.08   0.15     0.73  -0.08  -0.20    -0.42   0.12   0.14
    24   1    -0.08  -0.06  -0.00     0.24   0.05  -0.04     0.78  -0.12  -0.21
    25   1     0.03  -0.03  -0.05    -0.05   0.06   0.10    -0.02   0.07   0.10
    26   1     0.04  -0.05   0.01    -0.08   0.10  -0.03    -0.05   0.10  -0.04
    27   1     0.06  -0.08  -0.03    -0.09   0.13   0.05    -0.08   0.09   0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1378.4203              1385.9666              1406.8266
 Red. masses --      1.6606                 1.3607                 1.2843
 Frc consts  --      1.8590                 1.5400                 1.4976
 IR Inten    --      0.8631                59.2340                 9.3879
 RamAct Fr= 1--     19.0587                 1.8782                 1.2826
  Dep-P Fr= 1--      0.3771                 0.3771                 0.4013
  Dep-U Fr= 1--      0.5477                 0.5477                 0.5728
 Alpha2 Fr= 1--      0.1529                 0.0151                 0.0095
 Beta2  Fr= 1--      1.7397                 0.1715                 0.1224
 AlphaG Fr= 1--     -0.0444                 0.0124                -0.0012
 Gamma2 Fr= 1--     -0.8773                -0.4028                 0.0101
 Delta2 Fr= 1--      0.0535                -0.0207                 0.1119
 Raman1 Fr= 1--      76.235                  7.513                  5.131
 ROA1   Fr= 1--     -82.510                -39.335                  4.551
 CID1   Fr= 1--      -1.082                 -5.236                  0.887
 Raman2 Fr= 1--      20.877                  2.057                  1.469
 ROA2   Fr= 1--     -21.483                 -9.503                 -0.653
 CID2   Fr= 1--      -1.029                 -4.619                 -0.444
 Raman3 Fr= 1--      41.754                  4.115                  2.939
 ROA3   Fr= 1--     -82.510                -39.335                  4.551
 CID3   Fr= 1--      -1.976                 -9.559                  1.549
 RC180  Fr= 1--       0.095                  0.095                  0.146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.00  -0.00  -0.00     0.03   0.02  -0.08
     2   6     0.04   0.01  -0.04    -0.00   0.00  -0.00    -0.02   0.01   0.03
     3   6    -0.16  -0.14  -0.01     0.01  -0.01  -0.00     0.02   0.00  -0.00
     4   6     0.03   0.07   0.05    -0.03   0.01   0.01    -0.00  -0.01  -0.00
     5   6    -0.01  -0.03  -0.01    -0.02  -0.01   0.00    -0.00   0.00   0.00
     6   6     0.01  -0.00  -0.00     0.07  -0.01  -0.02    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.07  -0.08  -0.05
     9   6     0.00  -0.01   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    10   6     0.05   0.04  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00  -0.01  -0.00    -0.12   0.09   0.05     0.00   0.00  -0.00
    12   1     0.04   0.01   0.05     0.00  -0.00   0.00    -0.01   0.04  -0.01
    13   1     0.08   0.10  -0.05    -0.00   0.01  -0.00    -0.02  -0.03   0.01
    14   1     0.63   0.53   0.15     0.04   0.03   0.00    -0.07  -0.01  -0.03
    15   1    -0.22  -0.12  -0.15    -0.01   0.00  -0.00     0.02  -0.02   0.02
    16   1    -0.07   0.11   0.05    -0.00  -0.00  -0.00     0.03  -0.03  -0.03
    17   1     0.03  -0.03   0.06     0.00  -0.00   0.00    -0.05   0.03   0.34
    18   1     0.02  -0.02   0.07     0.00   0.00   0.00    -0.01  -0.21   0.27
    19   1    -0.04  -0.01   0.03    -0.01   0.00   0.01    -0.24  -0.05   0.26
    20   1    -0.02   0.06   0.02     0.00  -0.00  -0.00    -0.20   0.38   0.01
    21   1    -0.06   0.03  -0.02     0.00  -0.00  -0.00    -0.38   0.18   0.18
    22   1     0.02   0.08   0.01     0.00   0.00  -0.00    -0.12   0.30   0.32
    23   1     0.11   0.09  -0.05     0.08   0.00  -0.02     0.01  -0.01  -0.00
    24   1     0.20  -0.04  -0.04     0.10  -0.01  -0.02    -0.02   0.00   0.00
    25   1    -0.02   0.02   0.04     0.39  -0.22  -0.41    -0.00  -0.00  -0.00
    26   1    -0.03   0.04  -0.01     0.50  -0.34   0.06     0.00  -0.00   0.00
    27   1    -0.03   0.04   0.01     0.18  -0.40  -0.15     0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.8574              1464.8051              1474.3295
 Red. masses --      1.2283                 1.0589                 1.0480
 Frc consts  --      1.4672                 1.3387                 1.3421
 IR Inten    --      3.3188                14.4194                 9.2732
 RamAct Fr= 1--      1.2757                 7.7197                 6.6155
  Dep-P Fr= 1--      0.6675                 0.4887                 0.7500
  Dep-U Fr= 1--      0.8006                 0.6565                 0.8571
 Alpha2 Fr= 1--      0.0019                 0.0402                 0.0000
 Beta2  Fr= 1--      0.1702                 0.8447                 0.9451
 AlphaG Fr= 1--     -0.0033                -0.0164                 0.0000
 Gamma2 Fr= 1--      0.4438                -0.5531                 0.1452
 Delta2 Fr= 1--      0.0214                -0.1703                 0.0897
 Raman1 Fr= 1--       5.103                 30.879                 26.462
 ROA1   Fr= 1--      43.293                -58.552                 16.805
 CID1   Fr= 1--       8.484                 -1.896                  0.635
 Raman2 Fr= 1--       2.043                 10.136                 11.341
 ROA2   Fr= 1--      10.481                -11.913                  2.767
 CID2   Fr= 1--       5.131                 -1.175                  0.244
 Raman3 Fr= 1--       4.085                 20.272                 22.682
 ROA3   Fr= 1--      43.293                -58.552                 16.805
 CID3   Fr= 1--      10.597                 -2.888                  0.741
 RC180  Fr= 1--       0.601                  0.313                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.10     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00  -0.00   0.01
     6   6    -0.00  -0.00   0.00    -0.01   0.02   0.01    -0.00   0.01  -0.02
     7   8     0.00   0.00  -0.00     0.00  -0.02  -0.01     0.00  -0.00   0.00
     8   6    -0.05   0.07   0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.01  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.05  -0.03   0.00    -0.01   0.01  -0.05
    12   1    -0.05   0.02  -0.05     0.00  -0.00   0.00     0.00   0.00   0.00
    13   1    -0.06   0.01   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.02  -0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    15   1     0.01  -0.03   0.02     0.00  -0.01   0.00     0.00  -0.00   0.00
    16   1     0.02  -0.01  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.45    -0.01   0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.02  -0.26   0.35    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.31  -0.14   0.31     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.15  -0.29  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.31  -0.15  -0.09     0.00  -0.00   0.00    -0.00   0.00   0.00
    22   1     0.06  -0.27  -0.23    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1    -0.01   0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00   0.01
    24   1     0.00  -0.00  -0.01    -0.04   0.01   0.01     0.00   0.00  -0.01
    25   1    -0.00   0.00   0.00     0.32   0.36   0.40     0.48   0.10  -0.02
    26   1    -0.00   0.00  -0.00     0.17   0.54  -0.27    -0.45  -0.12   0.13
    27   1     0.00  -0.00   0.00     0.18  -0.39  -0.15     0.15  -0.18   0.69
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1482.5115              1484.4332              1493.6480
 Red. masses --      1.0670                 1.0506                 1.0623
 Frc consts  --      1.3818                 1.3639                 1.3963
 IR Inten    --      0.7195                 0.0417                 5.8390
 RamAct Fr= 1--      4.8768                10.7641                 4.4934
  Dep-P Fr= 1--      0.7398                 0.7464                 0.7326
  Dep-U Fr= 1--      0.8505                 0.8548                 0.8456
 Alpha2 Fr= 1--      0.0008                 0.0007                 0.0013
 Beta2  Fr= 1--      0.6912                 1.5335                 0.6333
 AlphaG Fr= 1--      0.0001                -0.0005                 0.0108
 Gamma2 Fr= 1--      2.9303                -3.2372                -0.6465
 Delta2 Fr= 1--      0.9482                -1.2415                 0.4791
 Raman1 Fr= 1--      19.507                 43.057                 17.974
 ROA1   Fr= 1--     311.647               -350.496                -46.737
 CID1   Fr= 1--      15.976                 -8.140                 -2.600
 Raman2 Fr= 1--       8.295                 18.401                  7.600
 ROA2   Fr= 1--      62.741                -67.761                -19.349
 CID2   Fr= 1--       7.564                 -3.682                 -2.546
 Raman3 Fr= 1--      16.590                 36.803                 15.199
 ROA3   Fr= 1--     311.647               -350.496                -46.737
 CID3   Fr= 1--      18.785                 -9.524                 -3.075
 RC180  Fr= 1--       0.701                  0.710                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01     0.03   0.01   0.01    -0.01   0.02  -0.00
     2   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.01    -0.02  -0.00   0.02
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.02  -0.00    -0.03  -0.01  -0.03    -0.01  -0.02   0.03
     9   6    -0.05  -0.01  -0.01    -0.02  -0.01  -0.00    -0.02  -0.01  -0.01
    10   6    -0.02   0.03   0.00    -0.01   0.02   0.00    -0.02   0.03   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    12   1     0.24   0.14   0.30     0.12   0.07   0.15     0.14   0.11   0.17
    13   1     0.35   0.09  -0.19     0.17   0.05  -0.09     0.20   0.03  -0.10
    14   1     0.00  -0.02   0.00     0.01   0.00   0.01    -0.04   0.01  -0.01
    15   1     0.05  -0.25   0.15     0.02  -0.17   0.09     0.05  -0.26   0.16
    16   1     0.17  -0.16  -0.17     0.11  -0.10  -0.11     0.18  -0.17  -0.18
    17   1    -0.05   0.03  -0.21    -0.28   0.18   0.13     0.23  -0.15   0.10
    18   1     0.21   0.03   0.22    -0.34  -0.22  -0.11     0.03   0.12  -0.13
    19   1    -0.05   0.33   0.15     0.15  -0.04  -0.17    -0.06  -0.27  -0.01
    20   1    -0.23   0.02  -0.09     0.35   0.26   0.21     0.16  -0.26   0.00
    21   1     0.18  -0.09   0.02    -0.04  -0.05   0.41    -0.23   0.18  -0.33
    22   1    -0.18  -0.21   0.16     0.12  -0.10  -0.24     0.22   0.38  -0.14
    23   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.00   0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    27   1    -0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.9638              1505.2722              1508.2948
 Red. masses --      1.1018                 1.0553                 1.0800
 Frc consts  --      1.4645                 1.4088                 1.4475
 IR Inten    --      3.7668                 7.8643                 5.7831
 RamAct Fr= 1--      7.3447                 4.5666                 1.9489
  Dep-P Fr= 1--      0.5427                 0.7494                 0.7393
  Dep-U Fr= 1--      0.7035                 0.8567                 0.8501
 Alpha2 Fr= 1--      0.0292                 0.0000                 0.0004
 Beta2  Fr= 1--      0.8612                 0.6520                 0.2761
 AlphaG Fr= 1--     -0.0130                 0.0022                 0.0016
 Gamma2 Fr= 1--     -0.3143                 0.6224                 0.0489
 Delta2 Fr= 1--     -0.5173                -1.2216                 0.2527
 Raman1 Fr= 1--      29.379                 18.266                  7.795
 ROA1   Fr= 1--     -46.727                 20.656                 12.780
 CID1   Fr= 1--      -1.590                  1.131                  1.639
 Raman2 Fr= 1--      10.335                  7.825                  3.314
 ROA2   Fr= 1--      -3.405                 24.710                 -0.848
 CID2   Fr= 1--      -0.329                  3.158                 -0.256
 Raman3 Fr= 1--      20.669                 15.649                  6.627
 ROA3   Fr= 1--     -46.727                 20.656                 12.780
 CID3   Fr= 1--      -2.261                  1.320                  1.928
 RC180  Fr= 1--       0.407                  0.713                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01     0.00  -0.03  -0.02    -0.03  -0.00   0.01
     2   6    -0.03   0.02  -0.01    -0.01  -0.04   0.00    -0.01  -0.00  -0.02
     3   6     0.02   0.01   0.01     0.01   0.00   0.00    -0.01  -0.01  -0.00
     4   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.01  -0.02    -0.03  -0.01   0.01    -0.01  -0.00  -0.02
     9   6    -0.04  -0.02  -0.01     0.01   0.01   0.00     0.04   0.02   0.01
    10   6     0.02  -0.05   0.00     0.00  -0.01  -0.00    -0.02   0.04   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.20   0.13   0.25    -0.02  -0.02  -0.03    -0.18  -0.12  -0.22
    13   1     0.28   0.09  -0.17    -0.02  -0.01   0.02    -0.25  -0.05   0.14
    14   1    -0.05  -0.03  -0.01    -0.02  -0.00  -0.00     0.03   0.02   0.01
    15   1    -0.05   0.34  -0.19    -0.01   0.10  -0.05     0.05  -0.28   0.16
    16   1    -0.21   0.19   0.24    -0.06   0.07   0.07     0.19  -0.16  -0.19
    17   1     0.31  -0.21   0.04    -0.16   0.10  -0.29     0.31  -0.21  -0.12
    18   1     0.20   0.20  -0.03     0.23  -0.04   0.34     0.29   0.25   0.01
    19   1    -0.15  -0.19   0.12    -0.05   0.49   0.19    -0.13  -0.06   0.13
    20   1     0.16   0.17   0.11     0.35  -0.07   0.12     0.16   0.25   0.13
    21   1     0.00  -0.05   0.25    -0.23   0.13  -0.02     0.00  -0.06   0.34
    22   1     0.04  -0.11  -0.12     0.25   0.24  -0.26     0.02  -0.16  -0.10
    23   1    -0.01  -0.00   0.00     0.01  -0.01   0.00     0.01   0.00  -0.01
    24   1    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
    25   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1674.9731              1763.3000              3013.7268
 Red. masses --      6.8538                 8.4458                 1.0782
 Frc consts  --     11.3291                15.4719                 5.7699
 IR Inten    --    257.1682               111.8844                 8.4445
 RamAct Fr= 1--    567.7981                18.7886                74.7841
  Dep-P Fr= 1--      0.2671                 0.7487                 0.4554
  Dep-U Fr= 1--      0.4216                 0.8563                 0.6258
 Alpha2 Fr= 1--      6.4119                 0.0004                 0.4486
 Beta2  Fr= 1--     39.8944                 2.6815                 7.7996
 AlphaG Fr= 1--      3.0138                 0.0089                -0.4286
 Gamma2 Fr= 1--     34.8701                -2.0146                -1.9096
 Delta2 Fr= 1--     -0.3269                -0.2831               -10.2418
 Raman1 Fr= 1--    2271.193                 75.154                299.136
 ROA1   Fr= 1--    3337.064               -202.460               -511.064
 CID1   Fr= 1--       1.469                 -2.694                 -1.708
 Raman2 Fr= 1--     478.733                 32.178                 93.595
 ROA2   Fr= 1--     839.497                -46.086                 36.103
 CID2   Fr= 1--       1.754                 -1.432                  0.386
 Raman3 Fr= 1--     957.467                 64.357                187.189
 ROA3   Fr= 1--    3337.064               -202.460               -511.064
 CID3   Fr= 1--       3.485                 -3.146                 -2.730
 RC180  Fr= 1--      -0.157                  0.713                  0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.02   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.06  -0.01   0.02     0.03  -0.01  -0.01     0.02  -0.01  -0.07
     4   6     0.42  -0.14  -0.14    -0.21   0.09   0.08     0.00   0.00  -0.00
     5   6    -0.40   0.13   0.13     0.20  -0.12  -0.08    -0.00  -0.00  -0.00
     6   6     0.10   0.25   0.04     0.05   0.58   0.14     0.00   0.00  -0.00
     7   8    -0.04  -0.17  -0.04    -0.05  -0.37  -0.08     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01   0.01
     9   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00   0.01
    11   6     0.00  -0.01  -0.00    -0.00  -0.04  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    13   1     0.03   0.01  -0.01    -0.01   0.00   0.00     0.01   0.01   0.02
    14   1    -0.14  -0.00  -0.01     0.09   0.03   0.00    -0.28   0.12   0.90
    15   1    -0.02  -0.01  -0.03     0.01   0.01   0.01     0.04  -0.02  -0.06
    16   1     0.00   0.03   0.03    -0.00  -0.01  -0.01    -0.00   0.03  -0.03
    17   1     0.02  -0.01   0.00    -0.01   0.00   0.00    -0.01  -0.01  -0.00
    18   1     0.02   0.01  -0.00    -0.01  -0.00  -0.00    -0.01   0.01   0.00
    19   1    -0.02  -0.01   0.03     0.01  -0.00  -0.01     0.01  -0.00   0.01
    20   1     0.01   0.00   0.00    -0.00   0.00  -0.00     0.06   0.06  -0.16
    21   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.09  -0.14  -0.02
    22   1     0.01  -0.02  -0.02    -0.00  -0.00   0.00     0.12  -0.03   0.10
    23   1    -0.48  -0.11   0.09     0.24   0.09  -0.03    -0.00  -0.04  -0.01
    24   1     0.37   0.16  -0.03    -0.41  -0.14   0.05     0.00   0.01   0.00
    25   1     0.02  -0.06  -0.08     0.03  -0.11  -0.13    -0.00   0.00  -0.00
    26   1     0.04  -0.09   0.02     0.06  -0.16   0.03     0.00   0.00   0.00
    27   1    -0.06   0.10   0.04    -0.11   0.19   0.08    -0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3018.7105              3029.3449              3029.5849
 Red. masses --      1.0382                 1.0359                 1.0378
 Frc consts  --      5.5740                 5.6010                 5.6123
 IR Inten    --     35.2990                21.3312                 3.2202
 RamAct Fr= 1--    148.0181               215.0641               183.0080
  Dep-P Fr= 1--      0.0271                 0.0213                 0.0113
  Dep-U Fr= 1--      0.0527                 0.0417                 0.0223
 Alpha2 Fr= 1--      3.0871                 4.5465                 3.9613
 Beta2  Fr= 1--      1.2999                 1.4960                 0.6787
 AlphaG Fr= 1--     -0.7563                 0.3167                -0.5251
 Gamma2 Fr= 1--     -2.6183                 2.4852                -0.1249
 Delta2 Fr= 1--     -1.8653                 0.5868                 1.7921
 Raman1 Fr= 1--     592.072                860.256                732.032
 ROA1   Fr= 1--    -311.042                257.359                 45.357
 CID1   Fr= 1--      -0.525                  0.299                  0.062
 Raman2 Fr= 1--      15.599                 17.952                  8.145
 ROA2   Fr= 1--     -47.916                 54.952                -17.334
 CID2   Fr= 1--      -3.072                  3.061                 -2.128
 Raman3 Fr= 1--      31.197                 35.904                 16.290
 ROA3   Fr= 1--    -311.042                257.359                 45.357
 CID3   Fr= 1--      -9.970                  7.168                  2.784
 RC180  Fr= 1--      -0.895                 -0.917                 -0.955
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.02  -0.04    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.02    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.03  -0.04  -0.01    -0.01   0.01   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.04  -0.02
    12   1     0.03   0.00  -0.03    -0.05  -0.01   0.05     0.00   0.00  -0.00
    13   1     0.01   0.01   0.03    -0.02  -0.02  -0.07     0.00   0.00   0.00
    14   1    -0.08   0.03   0.25     0.02  -0.01  -0.08    -0.00  -0.00   0.00
    15   1     0.01  -0.01  -0.02     0.01  -0.01  -0.02    -0.00   0.00   0.00
    16   1    -0.00   0.01  -0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    17   1    -0.07  -0.12  -0.01    -0.29  -0.46  -0.05     0.01   0.01   0.00
    18   1    -0.06   0.08   0.04    -0.28   0.35   0.19     0.01  -0.01  -0.01
    19   1     0.13  -0.03   0.09     0.50  -0.10   0.37    -0.01   0.00  -0.01
    20   1    -0.16  -0.15   0.43     0.04   0.04  -0.11    -0.00  -0.00   0.00
    21   1     0.30   0.46   0.06    -0.07  -0.11  -0.02     0.00   0.00   0.00
    22   1    -0.45   0.11  -0.34     0.10  -0.03   0.07    -0.00   0.00  -0.00
    23   1    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.00   0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.02  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.02  -0.01    -0.07   0.50  -0.41
    26   1    -0.00  -0.00  -0.00     0.00   0.01   0.02     0.15   0.24   0.60
    27   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.31  -0.20   0.02
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3051.4533              3066.2845              3076.2809
 Red. masses --      1.0575                 1.0594                 1.1011
 Frc consts  --      5.8017                 5.8688                 6.1396
 IR Inten    --     46.2053                22.3661                16.4403
 RamAct Fr= 1--    188.0291               138.1012                54.6231
  Dep-P Fr= 1--      0.0976                 0.0549                 0.6815
  Dep-U Fr= 1--      0.1779                 0.1041                 0.8106
 Alpha2 Fr= 1--      3.3114                 2.6963                 0.0660
 Beta2  Fr= 1--      5.5738                 2.3956                 7.3791
 AlphaG Fr= 1--     -0.0997                 0.1589                 0.0786
 Gamma2 Fr= 1--      3.1173                 3.1270                -2.1433
 Delta2 Fr= 1--     -3.3428                -6.1395                 2.8278
 Raman1 Fr= 1--     752.116                552.405                218.493
 ROA1   Fr= 1--     192.293                103.729               -115.266
 CID1   Fr= 1--       0.256                  0.188                 -0.528
 Raman2 Fr= 1--      66.886                 28.747                 88.550
 ROA2   Fr= 1--     101.558                124.164                -74.062
 CID2   Fr= 1--       1.518                  4.319                 -0.836
 Raman3 Fr= 1--     133.771                 57.493                177.100
 ROA3   Fr= 1--     192.293                103.729               -115.266
 CID3   Fr= 1--       1.437                  1.804                 -0.651
 RC180  Fr= 1--      -0.644                 -0.792                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.00     0.02   0.01   0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.07  -0.03  -0.04
     9   6    -0.06  -0.02  -0.01    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.03  -0.06  -0.01     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.51   0.08  -0.52     0.13   0.02  -0.12    -0.00   0.00   0.00
    13   1     0.21   0.20   0.58    -0.00  -0.00   0.00     0.01   0.01   0.03
    14   1     0.01  -0.01  -0.05    -0.01   0.00   0.02    -0.00  -0.00   0.01
    15   1     0.03  -0.02  -0.05    -0.42   0.22   0.60    -0.01   0.00   0.01
    16   1    -0.01  -0.10   0.10     0.02   0.43  -0.44     0.00   0.02  -0.02
    17   1    -0.03  -0.05  -0.00    -0.02  -0.02  -0.00    -0.08  -0.13  -0.01
    18   1    -0.02   0.03   0.02     0.02  -0.03  -0.02    -0.01   0.03   0.02
    19   1     0.04  -0.01   0.03     0.05  -0.01   0.04    -0.11   0.03  -0.08
    20   1     0.00   0.00  -0.01     0.01   0.01  -0.02    -0.03  -0.02   0.02
    21   1    -0.03  -0.05  -0.01    -0.01  -0.02  -0.00     0.35   0.57   0.07
    22   1     0.04  -0.01   0.03    -0.01   0.00  -0.00     0.54  -0.16   0.41
    23   1     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00  -0.01  -0.00
    24   1     0.00   0.00   0.00    -0.00  -0.03  -0.01    -0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.3649              3085.1440              3088.1857
 Red. masses --      1.0984                 1.1019                 1.1012
 Frc consts  --      6.1448                 6.1796                 6.1878
 IR Inten    --      8.9887                23.6008                38.2279
 RamAct Fr= 1--     58.0726                54.4103                85.7583
  Dep-P Fr= 1--      0.7468                 0.7152                 0.7456
  Dep-U Fr= 1--      0.8551                 0.8340                 0.8543
 Alpha2 Fr= 1--      0.0031                 0.0327                 0.0064
 Beta2  Fr= 1--      8.2761                 7.5628                12.2103
 AlphaG Fr= 1--      0.0257                -0.0487                 0.0128
 Gamma2 Fr= 1--      0.6583                16.3397                17.2010
 Delta2 Fr= 1--     -1.3472                 7.0306                10.6517
 Raman1 Fr= 1--     232.290                217.641                343.033
 ROA1   Fr= 1--      20.085               1793.589               1992.150
 CID1   Fr= 1--       0.086                  8.241                  5.807
 Raman2 Fr= 1--      99.313                 90.753                146.523
 ROA2   Fr= 1--      26.576                335.907                327.611
 CID2   Fr= 1--       0.268                  3.701                  2.236
 Raman3 Fr= 1--     198.626                181.507                293.046
 ROA3   Fr= 1--      20.085               1793.589               1992.150
 CID3   Fr= 1--       0.101                  9.882                  6.798
 RC180  Fr= 1--       0.710                  0.668                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.08  -0.02  -0.03
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.02   0.05  -0.07    -0.02  -0.01  -0.01
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.02    -0.00   0.00   0.01
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    11   6    -0.02   0.02  -0.09    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.00  -0.00   0.00     0.07   0.01  -0.06     0.06   0.01  -0.05
    13   1     0.00   0.00   0.00    -0.05  -0.05  -0.14    -0.03  -0.03  -0.08
    14   1    -0.00   0.00   0.00    -0.01   0.00   0.03     0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    16   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.06   0.06
    17   1     0.00   0.00   0.00     0.02   0.04   0.00     0.32   0.53   0.04
    18   1     0.00  -0.00  -0.00    -0.04   0.05   0.03     0.11  -0.16  -0.10
    19   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.54  -0.12   0.42
    20   1     0.00   0.00  -0.00    -0.28  -0.24   0.75     0.01   0.01  -0.02
    21   1     0.00   0.00   0.00    -0.20  -0.31  -0.06     0.08   0.14   0.02
    22   1     0.00  -0.00   0.00     0.28  -0.06   0.19     0.11  -0.03   0.08
    23   1    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.03  -0.01
    24   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    25   1     0.08  -0.56   0.43     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.16   0.27   0.62     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00   0.01  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3095.0380              3097.5290              3115.2948
 Red. masses --      1.1075                 1.1009                 1.1076
 Frc consts  --      6.2507                 6.2237                 6.3335
 IR Inten    --     15.5652                32.2786                45.9316
 RamAct Fr= 1--    112.7744                26.5992                81.6758
  Dep-P Fr= 1--      0.5921                 0.5960                 0.5929
  Dep-U Fr= 1--      0.7438                 0.7469                 0.7444
 Alpha2 Fr= 1--      0.3315                 0.0761                 0.2387
 Beta2  Fr= 1--     13.9799                 3.3110                10.1335
 AlphaG Fr= 1--      0.3071                 0.1288                 0.5897
 Gamma2 Fr= 1--    -31.2759                 7.7794                -4.1899
 Delta2 Fr= 1--     -3.2036                -0.9927                -4.3902
 Raman1 Fr= 1--     451.098                106.397                326.703
 ROA1   Fr= 1--   -3104.998                715.053               -542.720
 CID1   Fr= 1--      -6.883                  6.721                 -1.661
 Raman2 Fr= 1--     167.758                 39.732                121.602
 ROA2   Fr= 1--    -724.992                194.647                -65.437
 CID2   Fr= 1--      -4.322                  4.899                 -0.538
 Raman3 Fr= 1--     335.516                 79.464                243.205
 ROA3   Fr= 1--   -3104.998                715.053               -542.720
 CID3   Fr= 1--      -9.254                  8.998                 -2.232
 RC180  Fr= 1--       0.488                  0.494                  0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.03  -0.08  -0.02    -0.00   0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.01  -0.08    -0.00  -0.00  -0.01    -0.01   0.00   0.04
    10   6    -0.01  -0.02   0.04    -0.00  -0.01   0.01    -0.03  -0.02   0.08
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.38  -0.07   0.37    -0.03  -0.01   0.03     0.24   0.04  -0.23
    13   1     0.23   0.21   0.58     0.03   0.03   0.08    -0.10  -0.09  -0.26
    14   1     0.01  -0.00  -0.03     0.00  -0.00  -0.02     0.02  -0.01  -0.07
    15   1     0.11  -0.06  -0.15     0.03  -0.02  -0.05     0.33  -0.19  -0.46
    16   1     0.01   0.28  -0.27     0.00   0.14  -0.13     0.01   0.46  -0.44
    17   1    -0.00   0.01   0.00     0.29   0.42   0.03    -0.03  -0.05  -0.00
    18   1     0.09  -0.12  -0.07    -0.47   0.57   0.34     0.07  -0.08  -0.05
    19   1     0.11  -0.02   0.09    -0.13   0.01  -0.11     0.02  -0.00   0.01
    20   1    -0.05  -0.04   0.14     0.01   0.01  -0.04     0.02   0.01  -0.05
    21   1    -0.04  -0.06  -0.01     0.02   0.03   0.01     0.01   0.01   0.00
    22   1     0.05  -0.01   0.03    -0.01   0.00  -0.00    -0.01   0.00  -0.01
    23   1     0.00   0.01   0.00    -0.00  -0.03  -0.01     0.00   0.00   0.00
    24   1     0.00   0.01   0.00    -0.00   0.00   0.00     0.00   0.04   0.01
    25   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3132.4104              3145.4259              3162.4221
 Red. masses --      1.0876                 1.1009                 1.0885
 Frc consts  --      6.2873                 6.4172                 6.4137
 IR Inten    --      2.4319                13.2164                 9.7929
 RamAct Fr= 1--     60.3090                94.8987                35.8282
  Dep-P Fr= 1--      0.1903                 0.5352                 0.2376
  Dep-U Fr= 1--      0.3197                 0.6972                 0.3839
 Alpha2 Fr= 1--      0.8403                 0.3935                 0.4395
 Beta2  Fr= 1--      3.2135                11.0276                 2.2927
 AlphaG Fr= 1--      0.4595                 0.2077                -0.4105
 Gamma2 Fr= 1--     -1.2056                 2.9446                 1.0087
 Delta2 Fr= 1--     -0.5207                 2.0114                 2.5392
 Raman1 Fr= 1--     241.236                379.595                143.313
 ROA1   Fr= 1--    -132.402                347.045                178.088
 CID1   Fr= 1--      -0.549                  0.914                  1.243
 Raman2 Fr= 1--      38.562                132.331                 27.512
 ROA2   Fr= 1--     -24.769                 54.579                  3.894
 CID2   Fr= 1--      -0.642                  0.412                  0.142
 Raman3 Fr= 1--      77.125                264.663                 55.024
 ROA3   Fr= 1--    -132.402                347.045                178.088
 CID3   Fr= 1--      -1.717                  1.311                  3.237
 RC180  Fr= 1--      -0.361                  0.394                 -0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.08  -0.02     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     5   6    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.08  -0.02
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.07  -0.06  -0.00    -0.00  -0.00  -0.00
    12   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.01   0.00   0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.03   0.02   0.04
    16   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    17   1     0.02   0.03   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.01   0.02   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   1     0.12   0.95   0.24     0.00   0.01   0.00     0.01   0.09   0.02
    24   1    -0.01  -0.08  -0.02    -0.00  -0.05  -0.01     0.06   0.96   0.25
    25   1     0.00  -0.00   0.00    -0.04   0.19  -0.16    -0.00   0.02  -0.02
    26   1    -0.00  -0.00  -0.00     0.05   0.08   0.23     0.00   0.01   0.02
    27   1    -0.01  -0.01   0.00     0.79   0.49  -0.05     0.03   0.02  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   808.577473413.420373717.07857
           X            0.99972  -0.02293  -0.00628
           Y            0.02295   0.99973   0.00378
           Z            0.00619  -0.00392   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10712     0.02537     0.02330
 Rotational constants (GHZ):           2.23200     0.52872     0.48553
 Zero-point vibrational energy     621400.4 (Joules/Mol)
                                  148.51826 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.36   103.22   120.24   165.64   195.56
          (Kelvin)            231.06   308.76   348.55   364.88   387.10
                              406.13   508.63   535.01   579.39   691.22
                              778.35   834.87   857.16   917.53  1068.50
                             1128.72  1242.56  1259.52  1289.75  1319.93
                             1364.47  1381.83  1393.05  1410.66  1443.29
                             1452.82  1474.15  1510.44  1568.23  1663.48
                             1686.87  1705.56  1724.08  1762.32  1792.37
                             1823.78  1845.84  1886.41  1906.89  1931.30
                             1983.24  1994.10  2024.11  2048.61  2107.53
                             2121.23  2133.00  2135.77  2149.03  2160.99
                             2165.75  2170.10  2409.91  2537.00  4336.08
                             4343.25  4358.55  4358.90  4390.36  4411.70
                             4426.08  4433.40  4438.83  4443.21  4453.07
                             4456.65  4482.21  4506.84  4525.57  4550.02
 
 Zero-point correction=                           0.236679 (Hartree/Particle)
 Thermal correction to Energy=                    0.249236
 Thermal correction to Enthalpy=                  0.250180
 Thermal correction to Gibbs Free Energy=         0.197628
 Sum of electronic and zero-point Energies=           -465.874871
 Sum of electronic and thermal Energies=              -465.862314
 Sum of electronic and thermal Enthalpies=            -465.861370
 Sum of electronic and thermal Free Energies=         -465.913922
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.398             46.454            110.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.707
 Vibrational            154.620             40.493             38.929
 Vibration     1          0.594              1.983              5.563
 Vibration     2          0.598              1.967              4.105
 Vibration     3          0.600              1.960              3.805
 Vibration     4          0.608              1.937              3.181
 Vibration     5          0.614              1.917              2.860
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.645              1.819              2.004
 Vibration     8          0.658              1.776              1.786
 Vibration     9          0.665              1.757              1.705
 Vibration    10          0.673              1.730              1.602
 Vibration    11          0.681              1.706              1.520
 Vibration    12          0.730              1.568              1.150
 Vibration    13          0.744              1.530              1.072
 Vibration    14          0.768              1.464              0.953
 Vibration    15          0.837              1.293              0.709
 Vibration    16          0.896              1.159              0.563
 Vibration    17          0.937              1.074              0.485
 Vibration    18          0.954              1.041              0.457
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.125162D-90        -90.902527       -209.310803
 Total V=0       0.916473D+18         17.962120         41.359309
 Vib (Bot)       0.148026-104       -104.829663       -241.379219
 Vib (Bot)    1  0.603301D+01          0.780534          1.797247
 Vib (Bot)    2  0.287398D+01          0.458483          1.055697
 Vib (Bot)    3  0.246287D+01          0.391442          0.901329
 Vib (Bot)    4  0.177706D+01          0.249703          0.574962
 Vib (Bot)    5  0.149757D+01          0.175386          0.403842
 Vib (Bot)    6  0.125865D+01          0.099905          0.230039
 Vib (Bot)    7  0.923789D+00         -0.034427         -0.079271
 Vib (Bot)    8  0.808556D+00         -0.092290         -0.212505
 Vib (Bot)    9  0.768265D+00         -0.114489         -0.263621
 Vib (Bot)   10  0.718670D+00         -0.143471         -0.330353
 Vib (Bot)   11  0.680291D+00         -0.167305         -0.385235
 Vib (Bot)   12  0.520699D+00         -0.283413         -0.652582
 Vib (Bot)   13  0.488988D+00         -0.310702         -0.715417
 Vib (Bot)   14  0.441734D+00         -0.354840         -0.817048
 Vib (Bot)   15  0.348000D+00         -0.458421         -1.055553
 Vib (Bot)   16  0.292593D+00         -0.533737         -1.228974
 Vib (Bot)   17  0.262537D+00         -0.580809         -1.337362
 Vib (Bot)   18  0.251730D+00         -0.599064         -1.379397
 Vib (V=0)       0.108389D+05          4.034983          9.290893
 Vib (V=0)    1  0.655370D+01          0.816486          1.880030
 Vib (V=0)    2  0.341715D+01          0.533664          1.228806
 Vib (V=0)    3  0.301311D+01          0.479016          1.102974
 Vib (V=0)    4  0.234606D+01          0.370340          0.852739
 Vib (V=0)    5  0.207883D+01          0.317819          0.731806
 Vib (V=0)    6  0.185433D+01          0.268186          0.617521
 Vib (V=0)    7  0.155042D+01          0.190450          0.438527
 Vib (V=0)    8  0.145066D+01          0.161567          0.372022
 Vib (V=0)    9  0.141664D+01          0.151260          0.348289
 Vib (V=0)   10  0.137549D+01          0.138458          0.318811
 Vib (V=0)   11  0.134427D+01          0.128487          0.295853
 Vib (V=0)   12  0.122189D+01          0.087033          0.200400
 Vib (V=0)   13  0.119936D+01          0.078951          0.181791
 Vib (V=0)   14  0.116718D+01          0.067138          0.154590
 Vib (V=0)   15  0.110918D+01          0.045003          0.103624
 Vib (V=0)   16  0.107932D+01          0.033150          0.076330
 Vib (V=0)   17  0.106474D+01          0.027242          0.062726
 Vib (V=0)   18  0.105979D+01          0.025221          0.058074
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.114657D+07          6.059402         13.952289
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001894   -0.000000058    0.000000503
      2        6          -0.000002077   -0.000001999   -0.000006228
      3        6           0.000000384    0.000000065    0.000007651
      4        6           0.000000217   -0.000000087   -0.000001656
      5        6          -0.000000359    0.000000185    0.000000581
      6        6          -0.000000498    0.000000281   -0.000001469
      7        8           0.000000459    0.000002700   -0.000003676
      8        6           0.000001214   -0.000000493    0.000001271
      9        6           0.000006648    0.000001630    0.000002585
     10        6          -0.000003629   -0.000000788   -0.000000086
     11        6           0.000001856    0.000001215    0.000002280
     12        1          -0.000000147   -0.000001215    0.000002219
     13        1          -0.000002750   -0.000002514    0.000001507
     14        1           0.000001361    0.000002209   -0.000000889
     15        1           0.000001162   -0.000000593    0.000001729
     16        1           0.000001157   -0.000000197    0.000002066
     17        1          -0.000001205   -0.000000979   -0.000001196
     18        1          -0.000001429   -0.000000967    0.000000216
     19        1          -0.000001986   -0.000002231    0.000000728
     20        1          -0.000000155    0.000000606    0.000000203
     21        1          -0.000000370    0.000000496   -0.000000952
     22        1          -0.000001759   -0.000000350    0.000000024
     23        1           0.000000247    0.000001157   -0.000001267
     24        1           0.000000399    0.000000245   -0.000000096
     25        1           0.000000073   -0.000000007   -0.000001950
     26        1          -0.000000581    0.000000580   -0.000002111
     27        1          -0.000000127    0.000001109   -0.000001985
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007651 RMS     0.000001912
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.164118D+03 -0.317419D+01 -0.514876D+01
      2  -0.317419D+01  0.118396D+03  0.208611D+01
      3  -0.514876D+01  0.208611D+01  0.101746D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.225791D+00  0.494113D+01 -0.748974D+01
      2   0.331795D+02 -0.105530D+02  0.301692D+02
      3   0.223303D+02 -0.129604D+02  0.113130D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.574051D+02 -0.126989D+02  0.199927D+02
      2   0.106636D+02  0.166030D+02 -0.312072D+02
      3   0.467415D+02 -0.390406D+01  0.112145D+02
      4   0.348067D+01  0.245063D+02 -0.229321D+02
      5   0.281483D+02 -0.241074D+02  0.791296D+02
      6  -0.359300D+01 -0.354620D+01  0.134817D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.309771D+01  0.128889D+01 -0.399833D+01  0.677022D+00  0.361634D+01
      2   0.128889D+01  0.357816D+01  0.219269D+01  0.361634D+01  0.217879D+01
      3  -0.399833D+01  0.219269D+01 -0.345877D+01  0.215990D+01 -0.153129D+01
                 6             7             8             9            10 
      1   0.215990D+01 -0.379142D+01  0.269785D+01 -0.324873D+01  0.206045D+02
      2  -0.153129D+01  0.269785D+01 -0.992975D+00 -0.900453D+00 -0.282835D+01
      3  -0.147601D+01 -0.324873D+01 -0.900453D+00  0.661994D+00  0.358164D+01
                11            12            13            14            15 
      1  -0.282835D+01  0.358164D+01 -0.982988D+01 -0.223354D+01 -0.262255D+01
      2  -0.274313D+01 -0.216844D+01 -0.223354D+01 -0.473639D+01  0.105143D+01
      3  -0.216844D+01  0.326745D+01 -0.262255D+01  0.105143D+01  0.970010D+00
                16            17            18            19            20 
      1   0.133084D+02 -0.324865D+01  0.536141D+01 -0.360303D+02  0.243883D+01
      2  -0.324865D+01  0.178308D+01  0.519183D+00  0.243883D+01 -0.207683D+01
      3   0.536141D+01  0.519183D+00 -0.236184D+01 -0.302928D+00  0.897896D+00
                21            22            23            24            25 
      1  -0.302928D+00  0.813837D+01 -0.259991D+01  0.221258D+01 -0.508270D+01
      2   0.897896D+00 -0.259991D+01 -0.232227D+01 -0.175264D+01  0.217894D+01
      3  -0.295500D+01  0.221258D+01 -0.175264D+01  0.184393D+01 -0.683853D+01
                26            27            28            29            30 
      1   0.217894D+01 -0.683853D+01  0.532158D+02 -0.777505D+00 -0.325031D+01
      2  -0.222230D+01  0.145298D+01 -0.777505D+00  0.180149D+01 -0.623003D+00
      3   0.145298D+01  0.493474D+01 -0.325031D+01 -0.623003D+00  0.268887D+01
                31            32            33            34            35 
      1  -0.127240D+02  0.184482D+01  0.153130D+00 -0.136406D+02 -0.132935D+01
      2   0.184482D+01  0.283123D+01  0.146133D+01 -0.132935D+01  0.933122D+00
      3   0.153130D+00  0.146133D+01 -0.114258D+01  0.608922D+01 -0.180390D+00
                36            37            38            39            40 
      1   0.608922D+01 -0.501615D+02 -0.245859D+01  0.325554D+01  0.121975D+02
      2  -0.180390D+00 -0.245859D+01 -0.104531D+01  0.908218D+00 -0.350761D+01
      3  -0.432408D+01  0.325554D+01  0.908218D+00 -0.193026D+01 -0.486841D+00
                41            42            43            44            45 
      1  -0.350761D+01 -0.486841D+00  0.143624D+02  0.137074D+01 -0.505597D+01
      2  -0.227987D+01 -0.138473D+01  0.137074D+01 -0.137202D+01  0.668200D+00
      3  -0.138473D+01  0.199271D+01 -0.505597D+01  0.668200D+00  0.232733D+01
                46            47            48            49            50 
      1   0.196938D+02  0.347165D+01 -0.145616D+01  0.220719D+02  0.803805D+01
      2   0.347165D+01 -0.357132D+00  0.823596D-01  0.803805D+01  0.580295D+01
      3  -0.145616D+01  0.823596D-01 -0.597534D+00  0.358852D-01  0.342954D+00
                51            52            53            54            55 
      1   0.358852D-01  0.178837D+01  0.172849D+01 -0.459798D+00 -0.689231D+01
      2   0.342954D+00  0.172849D+01  0.114942D+01  0.711278D+00 -0.341425D+01
      3  -0.213081D+00 -0.459798D+00  0.711278D+00  0.602467D+00 -0.482802D+00
                56            57            58            59            60 
      1  -0.341425D+01 -0.482802D+00 -0.232573D+02 -0.930563D+01  0.426823D+00
      2  -0.153064D+01 -0.430920D+00 -0.930563D+01 -0.110722D+02 -0.707952D+00
      3  -0.430920D+00 -0.495943D+00  0.426823D+00 -0.707952D+00 -0.159277D+01
                61            62            63            64            65 
      1  -0.543470D+01 -0.191512D+01 -0.170672D+01 -0.593375D+01  0.200453D+01
      2  -0.191512D+01 -0.111859D+01 -0.279559D+01  0.200453D+01  0.311414D+01
      3  -0.170672D+01 -0.279559D+01 -0.130846D+01 -0.239306D+01  0.266534D+01
                66            67            68            69            70 
      1  -0.239306D+01  0.157383D+01  0.255165D+01  0.289602D+01 -0.425921D+01
      2   0.266534D+01  0.255165D+01  0.358720D+01 -0.151758D+00  0.287235D+01
      3  -0.284768D+01  0.289602D+01 -0.151758D+00 -0.166049D+01 -0.384113D+01
                71            72            73            74            75 
      1   0.287235D+01 -0.384113D+01 -0.204775D+01 -0.223612D+01  0.174310D+01
      2  -0.476014D+00 -0.835731D+00 -0.223612D+01  0.186585D+01 -0.721693D+00
      3  -0.835731D+00  0.409859D+01  0.174310D+01 -0.721693D+00 -0.284284D+01
                76            77            78            79            80 
      1  -0.337863D+01  0.256634D+01 -0.162758D+01  0.188425D+00 -0.118319D+01
      2   0.256634D+01  0.591215D+01 -0.325922D+00 -0.118319D+01 -0.100915D+01
      3  -0.162758D+01 -0.325922D+00 -0.168234D+01 -0.467074D+01 -0.219276D+01
                81            82            83            84            85 
      1  -0.467074D+01 -0.315351D+01  0.208086D+01 -0.237133D+01  0.223180D+01
      2  -0.219276D+01  0.208086D+01  0.181207D+01  0.157986D+01  0.231718D+01
      3  -0.146436D+01 -0.237133D+01  0.157986D+01  0.983766D+00  0.128372D+01
                86            87            88            89            90 
      1   0.231718D+01  0.128372D+01 -0.213104D+01  0.190141D+01  0.137274D+01
      2  -0.817268D+00  0.307129D+01  0.190141D+01  0.426999D+01 -0.248472D+01
      3   0.307129D+01 -0.221380D+01  0.137274D+01 -0.248472D+01 -0.452100D+00
                91            92            93            94            95 
      1   0.252073D+01  0.437426D+01  0.724304D+00  0.739617D+01  0.252456D+01
      2   0.437426D+01  0.733955D+00 -0.162782D+01  0.252456D+01 -0.387265D+01
      3   0.724304D+00 -0.162782D+01 -0.124892D+01 -0.173367D+01  0.867381D+00
                96            97            98            99           100 
      1  -0.173367D+01  0.156727D+01 -0.167942D+01  0.577472D-01  0.657452D+01
      2   0.867381D+00 -0.167942D+01  0.134972D+01 -0.376487D+01  0.181259D+01
      3  -0.309520D+01  0.577472D-01 -0.376487D+01 -0.329957D+01 -0.272902D+01
               101           102           103           104           105 
      1   0.181259D+01 -0.272902D+01  0.841819D+00  0.111449D+01 -0.331180D+00
      2   0.137437D+01 -0.572255D+00  0.111449D+01  0.380521D+00 -0.705146D+00
      3  -0.572255D+00  0.210804D+01 -0.331180D+00 -0.705146D+00  0.536545D+00
               106           107           108           109           110 
      1  -0.454602D+01 -0.860312D+00  0.303576D+01  0.291007D+01  0.160797D+01
      2  -0.860312D+00 -0.139896D+01  0.116116D+01  0.160797D+01  0.812181D+00
      3   0.303576D+01  0.116116D+01 -0.267437D+01  0.184108D+01  0.861835D+00
               111           112           113           114           115 
      1   0.184108D+01  0.950876D+00  0.131795D+01  0.104543D+01  0.384435D+01
      2   0.861835D+00  0.131795D+01  0.153757D+01  0.153691D+01  0.185992D+01
      3   0.194101D+01  0.104543D+01  0.153691D+01  0.149056D+01  0.386686D+01
               116           117           118           119           120 
      1   0.185992D+01  0.386686D+01  0.530415D+01 -0.813800D+00 -0.186524D+01
      2   0.246572D+01  0.227136D+01 -0.813800D+00  0.542353D+00  0.202670D-01
      3   0.227136D+01  0.547296D+01 -0.186524D+01  0.202670D-01  0.177563D+01
               121           122           123           124           125 
      1  -0.432893D+01  0.890151D+00 -0.447956D-02 -0.338265D+01 -0.249929D+00
      2   0.890151D+00 -0.100739D+00 -0.106154D+01 -0.249929D+00 -0.113764D+01
      3  -0.447956D-02 -0.106154D+01 -0.924421D+00  0.338303D+01 -0.804648D+00
               126           127           128           129           130 
      1   0.338303D+01 -0.219232D+01  0.403761D+00  0.121491D+01  0.328284D+00
      2  -0.804648D+00  0.403761D+00 -0.160206D+01 -0.790411D+00 -0.108534D+01
      3  -0.859727D+01  0.121491D+01 -0.790411D+00 -0.131288D+01 -0.553751D+00
               131           132           133           134           135 
      1  -0.108534D+01 -0.553751D+00  0.189043D+01 -0.730479D+00 -0.106880D+01
      2   0.212374D+01  0.823557D+00 -0.730479D+00  0.170594D+01  0.171160D+01
      3   0.823557D+00  0.110698D+01 -0.106880D+01  0.171160D+01  0.298178D+01
               136           137           138           139           140 
      1   0.676962D+00  0.110970D+01 -0.478412D+00  0.381147D+00  0.140549D+00
      2   0.110970D+01 -0.980358D-01 -0.692510D-01  0.140549D+00  0.731576D+01
      3  -0.478412D+00 -0.692510D-01 -0.124467D+00 -0.151866D+00 -0.343811D+01
               141           142           143           144           145 
      1  -0.151866D+00 -0.967602D+00 -0.336764D+00 -0.231096D+00 -0.183856D+01
      2  -0.343811D+01 -0.336764D+00 -0.474581D+01  0.345048D+01 -0.184823D+01
      3   0.240509D+01 -0.231096D+00  0.345048D+01 -0.330543D+01  0.716990D+00
               146           147           148           149           150 
      1  -0.184823D+01  0.716990D+00 -0.180022D+01 -0.208256D+01  0.715836D-01
      2  -0.259320D+01  0.410146D+00 -0.208256D+01 -0.582980D+01  0.140416D+01
      3   0.410146D+00 -0.624085D+00  0.715836D-01  0.140416D+01 -0.147551D+01
               151           152           153           154           155 
      1   0.138441D+00 -0.178353D+00 -0.158646D+00 -0.205286D+01  0.981026D+00
      2  -0.178353D+00  0.147540D+00 -0.787244D+00  0.981026D+00 -0.149310D+01
      3  -0.158646D+00 -0.787244D+00  0.295247D+00  0.151881D+01 -0.677427D+00
               156           157           158           159           160 
      1   0.151881D+01  0.141650D+01 -0.144528D+01 -0.864596D+00  0.135026D+01
      2  -0.677427D+00 -0.144528D+01  0.227082D+01  0.118282D+01 -0.757149D+00
      3  -0.143824D+01 -0.864596D+00  0.118282D+01  0.234034D+01 -0.774082D+00
               161           162           163           164           165 
      1  -0.757149D+00 -0.774082D+00  0.534967D+01 -0.140778D+01  0.365801D+01
      2   0.103666D+01  0.122835D+01 -0.140778D+01  0.111391D+01 -0.136556D+01
      3   0.122835D+01  0.266719D+01  0.365801D+01 -0.136556D+01  0.417045D+01
               166           167           168           169           170 
      1  -0.594095D+00  0.772830D+00 -0.776456D+00  0.253782D+01 -0.104616D+01
      2   0.772830D+00 -0.116630D+01  0.129628D+01 -0.104616D+01  0.102537D+01
      3  -0.776456D+00  0.129628D+01 -0.705639D+00  0.327658D+01 -0.119343D+01
               171           172           173           174           175 
      1   0.327658D+01  0.256153D+01 -0.123841D+00 -0.177643D+01  0.102479D+01
      2  -0.119343D+01 -0.123841D+00  0.251285D-01 -0.247897D+00 -0.406077D-01
      3   0.475804D+01 -0.177643D+01 -0.247897D+00  0.218438D+01 -0.816219D+00
               176           177           178           179           180 
      1  -0.406077D-01 -0.816219D+00 -0.238960D+01  0.783769D-01  0.325005D+01
      2   0.501666D+00 -0.905498D+00  0.783769D-01 -0.134249D+01  0.382025D-01
      3  -0.905498D+00  0.140604D+01  0.325005D+01  0.382025D-01 -0.688595D+01
               181           182           183           184           185 
      1  -0.118976D+01 -0.125787D+01  0.617638D-01 -0.153976D+01 -0.727527D+00
      2  -0.125787D+01 -0.322866D+01 -0.779844D+00 -0.727527D+00 -0.797528D+01
      3   0.617638D-01 -0.779844D+00 -0.551490D+00 -0.255074D+00 -0.124822D+01
               186           187           188           189           190 
      1  -0.255074D+00  0.363144D+00 -0.458115D+00  0.131644D+00  0.822475D+01
      2  -0.124822D+01 -0.458115D+00 -0.849265D+00 -0.118074D+01 -0.309505D+01
      3  -0.110359D+01  0.131644D+00 -0.118074D+01 -0.947268D+00  0.213111D+01
               191           192           193           194           195 
      1  -0.309505D+01  0.213111D+01 -0.150179D+01  0.169388D+01 -0.795161D+00
      2   0.175998D+01 -0.852175D+00  0.169388D+01 -0.188631D+01  0.671004D+00
      3  -0.852175D+00  0.186336D+01 -0.795161D+00  0.671004D+00 -0.266891D+00
               196           197           198           199           200 
      1   0.462134D+01 -0.191314D+01  0.241919D+01  0.415148D+00 -0.900356D+00
      2  -0.191314D+01  0.172190D+01 -0.768713D+00 -0.900356D+00 -0.383463D+00
      3   0.241919D+01 -0.768713D+00  0.173690D+01 -0.585979D+00 -0.115147D+00
               201           202           203           204           205 
      1  -0.585979D+00 -0.165685D+01 -0.685995D-01  0.207166D+00 -0.186067D+01
      2  -0.115147D+00 -0.685995D-01 -0.565285D+01 -0.164967D+01  0.318269D+00
      3  -0.975932D-01  0.207166D+00 -0.164967D+01 -0.151917D+01 -0.837444D+00
               206           207           208           209           210 
      1   0.318269D+00 -0.837444D+00 -0.840838D+00  0.135761D+01  0.578221D+00
      2  -0.128042D+01 -0.112844D+01  0.135761D+01  0.253560D+00 -0.111940D+00
      3  -0.112844D+01 -0.734192D+00  0.578221D+00 -0.111940D+00 -0.117915D+00
               211           212           213           214           215 
      1   0.216904D+01 -0.373788D+00 -0.313148D+00  0.743205D+00 -0.492107D+00
      2  -0.373788D+00  0.592832D+01  0.110173D+01 -0.492107D+00  0.133579D+01
      3  -0.313148D+00  0.110173D+01  0.988773D+00  0.300482D+00  0.649552D+00
               216           217           218           219           220 
      1   0.300482D+00 -0.246715D+01  0.662481D+00 -0.883943D+00  0.280237D+01
      2   0.649552D+00  0.662481D+00 -0.714444D+00  0.592881D+00 -0.289399D+01
      3   0.203818D+00 -0.883943D+00  0.592881D+00 -0.216268D+00  0.488374D+00
               221           222           223           224           225 
      1  -0.289399D+01  0.488374D+00 -0.236596D+01  0.152980D+01 -0.106147D+01
      2   0.614770D+01 -0.182159D+01  0.152980D+01 -0.290910D+01  0.241110D+01
      3  -0.182159D+01  0.225491D+01 -0.106147D+01  0.241110D+01 -0.202845D+01
               226           227           228           229           230 
      1  -0.488403D+00 -0.339118D+00  0.768247D+00  0.911890D+00 -0.108831D+01
      2  -0.339118D+00  0.524415D+00  0.608905D+00 -0.108831D+01  0.266463D+01
      3   0.768247D+00  0.608905D+00  0.984947D+00 -0.262101D+00  0.179218D+01
               231           232           233           234           235 
      1  -0.262101D+00  0.272303D+01 -0.498868D+00 -0.123630D+01 -0.966490D+01
      2   0.179218D+01 -0.498868D+00  0.201505D+01  0.284091D+01 -0.209330D+01
      3   0.229775D+01 -0.123630D+01  0.284091D+01  0.700377D+01  0.780212D+00
               236           237           238           239           240 
      1  -0.209330D+01  0.780212D+00 -0.450178D+01 -0.193609D+01  0.614053D+00
      2  -0.144554D+01  0.333389D+00 -0.193609D+01 -0.147112D+01  0.810624D-01
      3   0.333389D+00 -0.110802D+01  0.614053D+00  0.810624D-01 -0.562152D+00
               241           242           243 
      1   0.425305D+00  0.340956D+00 -0.135526D+01
      2   0.340956D+00 -0.845775D-01 -0.966247D-01
      3  -0.135526D+01 -0.966247D-01  0.638476D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.246945D+01  0.104809D+02  0.170125D+01  0.107810D+02  0.390608D+01
      2  -0.699074D+01  0.548442D+00  0.542908D+01  0.201491D+01 -0.107212D+02
      3  -0.108532D+01 -0.101463D+02  0.876471D+00 -0.519008D+01 -0.786256D+01
                 6             7             8             9            10 
      1  -0.806562D+01  0.201942D+01 -0.121118D+01 -0.325675D+01  0.654340D+01
      2  -0.737475D+01 -0.129529D+01 -0.625736D+01  0.690313D+01  0.245401D+02
      3  -0.398855D+00 -0.126263D+01 -0.631959D+00  0.431394D+01  0.419108D+01
                11            12            13            14            15 
      1  -0.523008D+01  0.219001D+01 -0.440495D+01 -0.200497D+00 -0.390586D+01
      2  -0.728108D+01  0.123682D+02 -0.147739D+02  0.501970D+01  0.244409D+01
      3   0.519114D+01  0.192712D+01  0.124690D+02  0.157297D+02 -0.105277D+01
                16            17            18            19            20 
      1   0.107534D+01  0.584148D+01 -0.818599D+00 -0.801644D+01  0.344915D+01
      2   0.137592D+02  0.208870D+01 -0.296949D+01 -0.269707D+02  0.419748D+01
      3   0.414788D+01  0.202123D+00 -0.383184D+01 -0.556420D+01 -0.509295D+01
                21            22            23            24            25 
      1  -0.231191D+01  0.232467D+01  0.596613D+01 -0.122606D+01 -0.142813D+01
      2   0.713350D+00  0.114434D+02 -0.450754D+01  0.422505D+01 -0.188675D+02
      3   0.818946D+00  0.940609D+01 -0.103746D+01  0.892338D+00  0.991934D+00
                26            27            28            29            30 
      1   0.435980D+01 -0.354708D+01  0.728918D+01 -0.878450D+00  0.156389D+01
      2   0.351014D+01 -0.352384D+01  0.308754D+02 -0.381885D-01 -0.716778D+01
      3   0.855996D+00 -0.139786D+01  0.125541D+02  0.296956D+01 -0.272601D+01
                31            32            33            34            35 
      1   0.161704D+01 -0.367027D+01 -0.606640D+00 -0.163965D+01  0.275240D+01
      2  -0.669675D+01  0.127133D+01  0.581351D+00 -0.373847D+02 -0.745083D+00
      3   0.105876D+02  0.999346D+00 -0.426773D+00 -0.728609D+01 -0.206731D+01
                36            37            38            39            40 
      1   0.262343D+01 -0.281161D+01  0.924529D-01 -0.562160D-02  0.272586D+01
      2   0.827769D+01 -0.292451D+02 -0.238850D+01  0.113558D+02  0.615716D+01
      3   0.170670D+01 -0.223306D+02 -0.114704D+02  0.294857D+01  0.103138D+02
                41            42            43            44            45 
      1  -0.711326D+00 -0.104094D+00  0.852743D+01  0.472302D+01 -0.114821D+01
      2   0.812150D-01 -0.616968D+00  0.174217D+02 -0.171086D+01 -0.876842D+01
      3  -0.500420D+01 -0.328917D+01  0.793048D+01 -0.936374D+00 -0.702001D+00
                46            47            48            49            50 
      1  -0.909931D+00  0.260276D+01 -0.219683D+01  0.347324D+01 -0.170326D+01
      2   0.472712D+01  0.541721D+01 -0.124800D+02  0.107613D+02  0.133917D+01
      3   0.666608D+01  0.283205D+01 -0.256797D+01  0.380621D+02  0.251961D+02
                51            52            53            54            55 
      1   0.420698D+01  0.342267D+01  0.733921D+01  0.360316D+01  0.202191D+01
      2  -0.837959D+01 -0.255494D+02 -0.495568D+00  0.459799D+01 -0.572077D+00
      3  -0.148414D+01 -0.441117D+00  0.398011D+01  0.195912D+01 -0.361199D+01
                56            57            58            59            60 
      1  -0.342545D+00  0.213414D+00 -0.985114D+00  0.267338D+00 -0.918695D+01
      2  -0.549910D+00  0.770959D+01 -0.975123D+01 -0.806402D+00  0.127464D+02
      3  -0.813878D+01 -0.998850D+00 -0.211797D+02 -0.415516D+02 -0.188123D+01
                61            62            63            64            65 
      1   0.411259D+00  0.119280D+01 -0.229957D+01 -0.523182D+01  0.355371D+01
      2   0.626870D+01  0.665546D+01  0.282830D+01 -0.107541D+02  0.106252D+02
      3  -0.389778D+01 -0.553219D+01 -0.762076D+01  0.186777D+01 -0.174979D+02
                66            67            68            69            70 
      1  -0.740327D+01  0.393124D+01 -0.325524D+01 -0.456841D+01 -0.104114D+02
      2  -0.895264D+01  0.981507D+01  0.752563D+00 -0.331756D+01 -0.176207D+02
      3  -0.572119D+01 -0.685792D+01 -0.193802D+02 -0.468073D+01 -0.478444D+01
                71            72            73            74            75 
      1   0.184730D+01  0.845765D+01 -0.455576D+01  0.348032D+01  0.394869D+01
      2   0.122353D+00  0.114093D+02  0.288923D+01 -0.137579D+01 -0.849340D+01
      3  -0.463948D+01  0.919188D+01  0.837543D+01 -0.153984D+02  0.763563D+01
                76            77            78            79            80 
      1   0.265083D+01  0.348517D+01  0.392227D+00  0.788072D+01  0.662739D+01
      2  -0.499316D+01 -0.164830D+01 -0.599356D+01 -0.215146D+02 -0.852138D+01
      3  -0.864470D+01 -0.160933D+02 -0.202197D+00  0.836798D+01 -0.936491D+00
                81            82            83            84            85 
      1   0.205926D+01  0.549841D+01 -0.582748D+01 -0.287430D+01 -0.836727D+01
      2  -0.579730D+01 -0.474618D+01  0.256492D+01  0.283562D+01  0.465113D+01
      3   0.159502D+01 -0.113648D+02 -0.841667D+00 -0.875512D+01  0.749053D+01
                86            87            88            89            90 
      1  -0.105200D+02  0.102382D+01 -0.230292D+01  0.855622D+01  0.131371D+01
      2   0.413361D+01 -0.136587D+01 -0.169698D+01 -0.228300D+00 -0.137597D+00
      3   0.513680D+01  0.106516D+01 -0.114671D+02  0.327291D+00  0.652079D+01
                91            92            93            94            95 
      1   0.103240D+01  0.143950D+01  0.245311D+01  0.421039D+01 -0.326453D+01
      2  -0.465660D+01  0.543613D+01  0.121837D+02  0.690717D+01 -0.541896D+01
      3   0.195781D+02  0.250051D+01 -0.598886D+01  0.185393D+02 -0.140584D+02
                96            97            98            99           100 
      1   0.564979D+00 -0.576716D+01  0.879855D+01  0.166017D+01  0.392108D+01
      2   0.121327D+02 -0.945454D+01  0.212790D+02  0.153770D+02 -0.834609D+01
      3   0.210620D+01 -0.610650D+01  0.560308D+01 -0.165780D+02  0.408551D+01
               101           102           103           104           105 
      1  -0.131755D+00 -0.348046D+01  0.363832D+00  0.794969D+00 -0.165587D+01
      2  -0.158227D+01  0.883539D+01 -0.128305D+01 -0.201991D+01  0.187583D+01
      3  -0.363412D+01 -0.213988D+01 -0.479340D+00  0.808883D+00  0.186325D+01
               106           107           108           109           110 
      1  -0.404807D+01  0.982933D-01  0.417733D+01 -0.210524D+01 -0.270063D+00
      2   0.725338D+01  0.315737D+01 -0.903993D+01  0.343557D+01  0.230151D+01
      3  -0.381406D+01  0.460336D+01  0.689358D+00  0.103837D+00 -0.180711D+01
               111           112           113           114           115 
      1  -0.292953D+01 -0.159211D+01 -0.128405D+01 -0.275673D+01 -0.477145D+01
      2   0.703066D+01  0.198001D+01  0.477143D+01  0.486715D+01  0.907722D+01
      3  -0.214393D+00 -0.228641D+00 -0.301559D+01 -0.304186D+01 -0.285854D+00
               116           117           118           119           120 
      1   0.430062D+00 -0.818453D+01  0.109324D+01 -0.150777D+01 -0.516409D+00
      2   0.661993D+01  0.174853D+02  0.406271D+01 -0.133199D+01  0.880968D+00
      3  -0.663848D+01 -0.179283D+01  0.145653D+01 -0.169680D+01 -0.655032D+00
               121           122           123           124           125 
      1  -0.273580D+01  0.104514D+00  0.801241D+00  0.859597D+00  0.385613D+01
      2  -0.473376D+01  0.471404D+00 -0.612754D+00 -0.330899D+01 -0.892207D+00
      3   0.977124D+00 -0.168404D+00  0.641753D+00 -0.796234D+00  0.146156D+01
               126           127           128           129           130 
      1   0.333807D+01 -0.337151D+01  0.176001D+01  0.398438D+01  0.173156D+01
      2  -0.452698D+01  0.270799D+01 -0.845525D+00 -0.358279D+00 -0.979603D+00
      3   0.120540D+01 -0.870417D+01  0.167276D+01  0.498228D+01  0.344568D+01
               131           132           133           134           135 
      1  -0.185594D+01 -0.370800D+01  0.317653D+01 -0.220239D+01 -0.858991D+01
      2   0.102078D+01  0.885991D+00 -0.327576D+01  0.183992D+01  0.260768D+01
      3  -0.557641D+01 -0.276816D+01  0.750496D+01 -0.384842D+01 -0.620559D+01
               136           137           138           139           140 
      1   0.302771D+00  0.428994D+00  0.582653D+00 -0.261076D+00  0.377192D+01
      2  -0.930439D-01  0.326429D+00  0.393672D+00  0.870392D+00 -0.332991D+01
      3  -0.138225D+01  0.149431D+01 -0.699683D+00  0.454746D+01 -0.102541D+02
               141           142           143           144           145 
      1  -0.632747D+01  0.816754D+00 -0.395642D+01  0.688490D+01 -0.334148D+01
      2   0.240758D+01 -0.230720D+01  0.349848D+01 -0.360225D+01  0.645995D+01
      3   0.461658D+01 -0.241868D+01  0.567630D+01 -0.569293D+01  0.739383D+01
               146           147           148           149           150 
      1  -0.543657D+01 -0.111350D+01 -0.495628D+01 -0.971795D+01 -0.175343D+01
      2   0.454558D+01 -0.121222D+01  0.497006D+01  0.758560D+01 -0.166990D+01
      3   0.538056D+01 -0.130129D+01  0.837252D+01  0.110793D+02 -0.247704D+01
               151           152           153           154           155 
      1  -0.836270D+00  0.383456D+00 -0.143035D+01  0.422903D+01 -0.534592D+01
      2  -0.179228D+01 -0.968595D+00  0.747451D+00  0.976171D+01 -0.417305D+01
      3   0.676191D+00  0.187332D+00  0.165638D+01 -0.184489D+00  0.170997D+00
               156           157           158           159           160 
      1  -0.209776D+01 -0.471800D+01  0.777332D+01  0.237053D+01 -0.241587D+01
      2  -0.409347D+01 -0.597964D+01  0.595043D+01  0.525416D+01 -0.566615D+01
      3  -0.167778D+00  0.262846D+01 -0.106758D+01 -0.869840D+00  0.498044D+00
               161           162           163           164           165 
      1   0.448251D+01  0.404817D+01  0.101839D+01  0.186377D+01  0.196126D+01
      2   0.387545D+01  0.553216D+01 -0.367771D+01 -0.430515D+00  0.342998D+01
      3  -0.716387D-01 -0.101959D+01 -0.206180D+01 -0.265717D+01 -0.260320D+00
               166           167           168           169           170 
      1   0.411740D+00 -0.972945D+00  0.457418D+00  0.117878D+01  0.254731D+01
      2   0.732120D+00  0.136490D+01  0.274153D+00 -0.268232D+01  0.196019D-01
      3   0.231384D+00  0.179050D+01 -0.143704D+01 -0.157505D+01 -0.170863D+01
               171           172           173           174           175 
      1   0.292977D+01 -0.284288D+01 -0.115340D+01  0.405989D+01 -0.867251D+00
      2   0.349069D+01 -0.344155D+01 -0.776902D+00  0.685604D+01 -0.110845D+01
      3  -0.817102D+00 -0.301629D+01 -0.936706D+00  0.359446D+01 -0.769460D-01
               176           177           178           179           180 
      1  -0.259425D+01  0.207346D+01  0.494219D+01  0.424277D+01 -0.113973D+02
      2  -0.295291D+01  0.419376D+01  0.578333D+01  0.714020D+00 -0.201049D+02
      3  -0.203216D+01  0.389583D+01  0.340679D+01  0.549026D+01 -0.510706D+01
               181           182           183           184           185 
      1   0.911213D+00  0.484300D+00 -0.148772D+01  0.326876D+00  0.250359D+01
      2  -0.120136D+01 -0.305476D+01 -0.541404D+00 -0.220108D+01 -0.457193D+01
      3   0.849704D+01  0.118327D+02  0.230122D+01  0.841986D+01  0.272866D+02
               186           187           188           189           190 
      1  -0.369620D+01  0.331755D+00 -0.263107D+00 -0.137026D+01  0.540883D+01
      2  -0.285890D+01 -0.501959D+00 -0.356239D+01 -0.251575D+01  0.104250D+02
      3   0.458650D+01  0.163501D+01  0.385673D+01  0.350455D+01 -0.387949D+01
               191           192           193           194           195 
      1  -0.189968D+01  0.459278D+01 -0.243751D+01  0.188260D+01 -0.184056D+01
      2  -0.441707D+01  0.997332D+01 -0.374005D+01  0.317014D+01 -0.186291D+01
      3  -0.328940D+01 -0.701502D+00 -0.708885D+00  0.395869D+01 -0.733045D+00
               196           197           198           199           200 
      1   0.456070D+01 -0.525673D+00  0.365517D+01 -0.729288D+00  0.545894D+00
      2   0.868851D+01 -0.305490D+01  0.796940D+01  0.664731D+00 -0.614027D+00
      3  -0.504212D+00 -0.364547D+01 -0.134727D+01  0.959125D+00  0.548872D-01
               201           202           203           204           205 
      1  -0.819416D+00  0.120285D+01  0.542684D+01 -0.248296D+01 -0.614576D+01
      2   0.970780D-01 -0.183355D+01 -0.483245D+00  0.142320D+01 -0.177527D+01
      3  -0.112002D+00  0.421052D+01 -0.298700D+01  0.220620D+00  0.145295D+01
               206           207           208           209           210 
      1   0.120199D+01  0.487318D+00 -0.172010D+01  0.125940D+00  0.183159D+00
      2   0.951807D+00 -0.702777D-01 -0.378706D+01  0.224459D+00  0.571647D+00
      3  -0.124796D+00 -0.123690D+01  0.359992D+01  0.181720D+01  0.217723D+00
               211           212           213           214           215 
      1   0.176837D+01 -0.914686D+00 -0.376703D+01 -0.608229D+01  0.346350D+00
      2   0.236137D+01 -0.297295D+01 -0.258109D+01 -0.952324D+01 -0.147791D+01
      3   0.469229D+01  0.113010D+02  0.210767D+01  0.924043D+00  0.228541D+01
               216           217           218           219           220 
      1   0.589255D-01  0.394624D+00 -0.736101D+00  0.618075D+00 -0.236011D+01
      2   0.561722D+00  0.197562D+01 -0.226204D+01  0.256013D+01 -0.385873D+01
      3   0.138329D+01  0.106832D+01 -0.328594D+01  0.170136D+01 -0.771027D+01
               221           222           223           224           225 
      1   0.465315D+01 -0.430560D+01  0.247673D+01 -0.282504D+01  0.347647D+01
      2   0.101403D+02 -0.962112D+01  0.690214D+01 -0.120534D+02  0.872703D+01
      3   0.236929D+02 -0.756530D+01  0.403037D+01 -0.116640D+02  0.953171D+01
               226           227           228           229           230 
      1   0.246020D+00 -0.342800D+00 -0.106029D+01 -0.362695D-01 -0.435748D-01
      2  -0.111714D+01 -0.372450D+01 -0.520882D+01 -0.117545D-01 -0.800076D+01
      3  -0.253223D+00  0.821058D+00  0.300986D+01 -0.226703D+01  0.984765D+01
               231           232           233           234           235 
      1  -0.208352D+01  0.152380D+01 -0.641308D-01 -0.529367D+01 -0.180499D+01
      2  -0.992223D+01  0.349362D+01 -0.133191D+02 -0.308561D+02  0.502125D+00
      3   0.723917D+01  0.120797D+01  0.784192D+01  0.110276D+02 -0.153672D+02
               236           237           238           239           240 
      1  -0.120506D+01  0.244476D+00 -0.122550D+01 -0.868659D+00 -0.731348D+00
      2  -0.299721D+00  0.616551D+01 -0.719431D+00  0.361526D+00  0.286582D+01
      3  -0.100478D+02  0.195574D+01 -0.898573D+01 -0.832595D+01  0.499042D+00
               241           242           243 
      1   0.105452D+01  0.624695D+00 -0.396761D+00
      2   0.350458D+01  0.542285D+00 -0.202801D+01
      3   0.186518D+01  0.737778D-01 -0.935994D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.578649D+01  0.461803D+01 -0.749292D+01  0.264617D+01  0.190380D+02
      2   0.680801D+01 -0.176292D+02  0.117826D+02 -0.145809D+02 -0.122338D+02
      3  -0.125945D+02  0.130112D+02 -0.428965D+01  0.119347D+02 -0.680423D+01
      4   0.723168D+01  0.760658D+01  0.123895D+02  0.920989D+01 -0.761381D+00
      5  -0.208779D+02  0.116332D+02 -0.254833D+02  0.112949D+02  0.414173D+01
      6   0.688028D+01  0.682570D+01  0.116407D+02  0.744768D+01  0.640399D+01
                 6             7             8             9            10 
      1   0.948651D+01 -0.468930D+01  0.119781D+02 -0.173225D+02 -0.188376D+00
      2   0.293796D+00  0.909907D+01 -0.223255D+01  0.964844D+01 -0.252157D+01
      3  -0.978031D+01 -0.440977D+01 -0.974553D+01  0.767403D+01  0.270995D+01
      4  -0.630170D+01  0.146638D+02 -0.648093D+01  0.299590D+01 -0.186090D+02
      5   0.107858D+01 -0.247693D+02  0.520903D+01 -0.858576D+01  0.954133D+01
      6  -0.285053D+01  0.113209D+02 -0.193076D+01 -0.568388D+01 -0.746391D+01
                11            12            13            14            15 
      1  -0.703269D+01  0.218731D+01  0.122863D+01 -0.225866D+02 -0.928229D+01
      2   0.954131D+01 -0.150955D+01  0.141674D+01  0.973510D+01  0.215087D+01
      3  -0.250862D+01 -0.677755D+00 -0.264538D+01  0.128515D+02  0.713142D+01
      4  -0.139444D+02 -0.124599D+02 -0.150098D+02 -0.219730D+02  0.597171D+01
      5  -0.106817D+02  0.133358D+02 -0.114617D+02  0.643628D+00  0.600263D+01
      6   0.616001D+01 -0.229960D+01  0.224606D+01 -0.911323D+01 -0.148084D+01
                16            17            18            19            20 
      1   0.365404D+01 -0.151572D+02  0.151117D+02  0.289321D+02  0.961885D+01
      2   0.355015D+01  0.543406D+01 -0.102157D+02 -0.113898D+02 -0.973546D+01
      3  -0.720419D+01  0.972316D+01 -0.489596D+01 -0.175424D+02  0.116614D+00
      4  -0.210188D+02  0.110338D+02  0.150621D+01  0.225048D+02 -0.456279D+01
      5   0.201566D+02  0.234584D+01 -0.875765D+01  0.105212D+02  0.260487D+01
      6  -0.266816D+01 -0.110593D+01  0.764979D+01  0.752907D+01  0.113146D+01
                21            22            23            24            25 
      1  -0.506020D+01  0.538837D+01  0.246017D+01  0.341682D+01 -0.194578D+02
      2  -0.278665D+01 -0.554561D+01 -0.700223D+01 -0.147491D+01 -0.677089D+01
      3   0.784685D+01  0.157242D+00  0.454206D+01 -0.194192D+01  0.262287D+02
      4   0.465166D+01 -0.802605D+01 -0.331863D+01 -0.517637D+01  0.119829D+02
      5  -0.641760D+01  0.488435D+01 -0.118039D+01  0.338402D+01 -0.174125D+02
      6   0.581845D-01  0.176741D+01  0.378179D+01  0.294586D+01 -0.236917D+01
                26            27            28            29            30 
      1   0.756719D+01  0.105269D+02 -0.107072D+03 -0.153933D+01  0.868744D+01
      2  -0.520542D+01  0.134272D+02  0.411609D+02 -0.908932D+00 -0.223772D+01
      3  -0.236177D+01 -0.239541D+02  0.659111D+02  0.244826D+01 -0.644972D+01
      4  -0.898570D+01  0.326570D+01 -0.147950D+02 -0.743873D+01  0.196975D+01
      5   0.350803D+01  0.152563D+02 -0.947424D+01  0.184527D+01 -0.870119D+01
      6   0.327393D+01 -0.618218D+00 -0.690199D+01 -0.299604D+01  0.117263D+01
                31            32            33            34            35 
      1   0.379827D+02  0.308869D+01  0.228111D+01  0.372271D+02  0.610773D+01
      2  -0.168655D+02 -0.239680D+01 -0.180328D+01 -0.865844D+01 -0.447083D+01
      3  -0.211172D+02 -0.691888D+00 -0.477825D+00 -0.285687D+02 -0.163690D+01
      4   0.778081D+00 -0.355005D+01 -0.192978D+01  0.259941D+01  0.436719D+01
      5  -0.196890D+01 -0.291867D+01  0.160110D+01 -0.214609D+01 -0.158660D+01
      6  -0.120208D+01 -0.876398D+01 -0.175564D+01 -0.853860D+00  0.309256D+01
                36            37            38            39            40 
      1  -0.260618D+02  0.134593D+03  0.789326D+01 -0.126825D+02 -0.335775D+02
      2  -0.151502D+01 -0.481337D+02 -0.153223D+01  0.309123D+01  0.154664D+02
      3   0.275768D+02 -0.864596D+02 -0.636103D+01  0.959128D+01  0.181110D+02
      4  -0.198508D+01  0.243767D+02  0.182258D+02 -0.403521D+01  0.196755D+02
      5   0.915699D+01  0.577211D+01 -0.146128D+01  0.164326D+02 -0.124313D+01
      6  -0.286966D+01  0.736997D+01  0.253927D+01 -0.336861D+01  0.229723D+01
                41            42            43            44            45 
      1   0.880184D+01  0.701635D+01 -0.337912D+02  0.172139D+00  0.512678D+01
      2  -0.849784D+01 -0.258890D+01  0.146373D+02 -0.214865D+01 -0.704808D+01
      3  -0.304001D+00 -0.442745D+01  0.191538D+02  0.197651D+01  0.192130D+01
      4   0.719633D+01  0.324474D+01 -0.108079D+02  0.150557D+01 -0.206723D+01
      5   0.559001D+01 -0.561357D+01  0.237570D+02 -0.325461D+01 -0.525441D+01
      6  -0.265222D+01  0.413880D+01 -0.941984D+01  0.517985D+01 -0.768481D+00
                46            47            48            49            50 
      1  -0.623663D+02  0.317180D+01  0.380408D+01 -0.415020D+02 -0.165259D+02
      2   0.179960D+02 -0.476764D+01 -0.539055D+01  0.400554D+01 -0.472656D+01
      3   0.443703D+02  0.159583D+01  0.158648D+01  0.374965D+02  0.212525D+02
      4  -0.143166D+02 -0.179079D+02 -0.126160D+01 -0.645294D+02 -0.454453D+02
      5   0.314516D+01 -0.495777D+01 -0.143131D+02 -0.193500D+02 -0.694866D+01
      6  -0.941235D+01  0.168230D+01  0.226569D+01 -0.792885D+01 -0.508166D+01
                51            52            53            54            55 
      1  -0.272422D+01  0.339883D+01 -0.560413D+01 -0.356769D+01  0.348003D+02
      2   0.445563D+01 -0.519686D+01 -0.927916D+00 -0.313717D+01 -0.139737D+02
      3  -0.173141D+01  0.179803D+01  0.653205D+01  0.670486D+01 -0.208266D+02
      4  -0.147982D+01 -0.159542D+02 -0.470216D+01 -0.465615D+01  0.272317D+02
      5  -0.659792D+01 -0.316503D+00 -0.540440D+01  0.118594D+01  0.781418D+01
      6  -0.643700D+01  0.607396D+00  0.323662D+01 -0.455104D+01  0.239725D+01
                56            57            58            59            60 
      1   0.139355D+02  0.273146D+01  0.646335D+02  0.143431D+01 -0.384215D+01
      2  -0.365084D+01 -0.420274D+00 -0.146458D+02  0.304217D+02  0.523064D+00
      3  -0.102847D+02 -0.231119D+01 -0.499877D+02 -0.318560D+02  0.331908D+01
      4   0.243218D+02  0.354204D+01  0.699073D+02  0.804064D+02  0.600983D+01
      5   0.482538D+01  0.127166D+02  0.100055D+02  0.119003D+02  0.170968D+02
      6   0.151973D+01  0.217433D+01  0.898026D+01  0.611676D+01  0.146304D+02
                61            62            63            64            65 
      1   0.162433D+02  0.249264D+01 -0.456461D+00 -0.277301D+02  0.243957D+02
      2  -0.580173D+01 -0.564777D+00 -0.166789D+00  0.109330D+02 -0.223058D+02
      3  -0.104416D+02 -0.192786D+01  0.623249D+00  0.167971D+02 -0.208995D+01
      4   0.136551D+02  0.895329D+01  0.198978D+02  0.203963D+02  0.933231D+01
      5   0.209129D+02  0.197475D+02  0.997359D+01 -0.156458D+02  0.158981D+02
      6   0.933471D+01  0.135811D+02  0.610951D+01  0.101093D+02 -0.132546D+02
                66            67            68            69            70 
      1  -0.121544D+02  0.167676D+02  0.301949D+02  0.191900D+02 -0.192959D+02
      2  -0.388341D+01 -0.140220D+02 -0.266876D+02 -0.130118D+02 -0.282766D+01
      3   0.160378D+02 -0.274555D+01 -0.350739D+01 -0.617827D+01  0.221236D+02
      4   0.203876D+02  0.103708D+02  0.583048D+01 -0.736364D+01  0.259116D+02
      5  -0.184895D+02  0.177834D+02 -0.533617D+01 -0.109814D+02 -0.246191D+02
      6   0.579960D+01 -0.109591D+02 -0.210686D+01  0.295291D+01  0.777543D+01
                71            72            73            74            75 
      1   0.216109D+02 -0.234922D+02  0.119940D+01 -0.136913D+02  0.212883D+02
      2  -0.127421D+02  0.233933D+02 -0.216018D+01  0.103413D+02 -0.121609D+02
      3  -0.886875D+01  0.989550D-01  0.960782D+00  0.335002D+01 -0.912739D+01
      4  -0.105060D+02  0.893310D+00 -0.113200D+02  0.195954D+01  0.353091D+01
      5  -0.555353D+01  0.273445D+02  0.116357D+02 -0.232580D+01 -0.201967D+02
      6   0.282133D+01 -0.560086D+01  0.503527D+01 -0.601924D+01 -0.741686D+01
                76            77            78            79            80 
      1  -0.174861D+02  0.123382D+02 -0.478312D+01  0.236880D+02 -0.437889D-02
      2   0.169472D+02  0.207969D+01  0.418185D+01 -0.133478D+02  0.276389D+00
      3   0.538895D+00 -0.144179D+02  0.601272D+00 -0.103402D+02 -0.272010D+00
      4   0.989523D+01  0.362313D+02 -0.405069D+01 -0.621433D+00 -0.875034D+01
      5  -0.866539D+01  0.202094D+01 -0.123836D+02 -0.326867D+02 -0.160032D+02
      6  -0.337847D+01  0.829542D+00 -0.488092D+01 -0.135926D+02 -0.710152D+01
                81            82            83            84            85 
      1  -0.196786D+02 -0.172337D+02 -0.160608D+01 -0.142388D+02 -0.962621D+00
      2   0.130236D+02  0.149327D+02  0.702170D+01  0.131851D+02  0.433183D+01
      3   0.665506D+01  0.230104D+01 -0.541562D+01  0.105377D+01 -0.336921D+01
      4  -0.210673D+02 -0.531750D+00  0.940542D+01 -0.439114D+01  0.880063D+01
      5  -0.108535D+02 -0.674340D+01  0.226445D+01  0.168475D+01  0.503104D+01
      6  -0.901631D+01 -0.104888D+02  0.541729D+01  0.378125D+01  0.317606D+01
                86            87            88            89            90 
      1   0.978551D+01 -0.682341D+01 -0.164338D+02 -0.121889D+02  0.140802D+02
      2  -0.453238D+01  0.105901D+02  0.154386D+02  0.187314D+02 -0.158482D+02
      3  -0.525313D+01 -0.376665D+01  0.995111D+00 -0.654248D+01  0.176804D+01
      4  -0.158919D+01  0.124698D+02 -0.318528D+01  0.177884D+02 -0.110670D+01
      5   0.656483D+01 -0.319040D+01  0.323164D+01 -0.414806D+01  0.648220D+00
      6   0.173314D+02 -0.137222D+02  0.440093D+01 -0.186360D+02  0.265116D+01
                91            92            93            94            95 
      1  -0.287803D+02 -0.347585D+02  0.434753D+00 -0.523971D+02 -0.133032D+02
      2   0.166139D+02  0.190276D+02  0.162486D+01  0.286614D+02  0.373306D+01
      3   0.121664D+02  0.157309D+02 -0.205961D+01  0.237357D+02  0.957013D+01
      4  -0.402531D+02 -0.579193D-01  0.137161D+02 -0.168501D+02  0.276016D+02
      5  -0.500004D+01  0.149550D+02  0.128583D+02  0.167758D+02 -0.950891D+01
      6   0.582999D+01 -0.346665D+01 -0.547273D+01 -0.347216D+01  0.533091D+01
                96            97            98            99           100 
      1   0.149368D+02 -0.866042D+01  0.154973D+02  0.138018D+02  0.502149D+02
      2  -0.593046D+00  0.157336D+00  0.226604D+01 -0.403875D+01 -0.248327D+02
      3  -0.143437D+02  0.850308D+01 -0.177633D+02 -0.976309D+01 -0.253823D+02
      4  -0.101765D+02  0.168946D+02 -0.160188D+02  0.272643D+02  0.255490D+02
      5   0.223811D+02 -0.150097D+01  0.291860D+02  0.217628D+02 -0.224149D+02
      6  -0.642172D+01  0.185793D+01 -0.999510D+01 -0.836727D+01 -0.619303D+01
               101           102           103           104           105 
      1   0.105065D+02 -0.187707D+02  0.510530D+01  0.571328D+01 -0.324290D+00
      2  -0.302060D+01  0.993715D+01 -0.251021D+00 -0.128603D+01 -0.151906D+01
      3  -0.748589D+01  0.883352D+01 -0.485428D+01 -0.442725D+01  0.184335D+01
      4   0.143042D+02 -0.878354D+01  0.125930D+02  0.568250D+01 -0.608137D+01
      5  -0.434025D+01  0.174922D+02 -0.252975D+01 -0.611430D+01  0.390525D+01
      6  -0.200522D+01  0.549917D+01 -0.250237D+01 -0.291790D+01  0.407095D+01
               106           107           108           109           110 
      1  -0.287841D+02 -0.344598D+01  0.159691D+02  0.194278D+02  0.827536D+01
      2   0.158657D+02 -0.676952D+00 -0.114080D+02 -0.108263D+02 -0.377842D+01
      3   0.129184D+02  0.412293D+01 -0.456102D+01 -0.860149D+01 -0.449694D+01
      4  -0.146344D+02 -0.108199D+02  0.127817D+02  0.174512D+02  0.106691D+02
      5   0.245409D+02  0.814120D+01 -0.197099D+02  0.162217D+02  0.717349D+01
      6   0.801306D+01  0.513266D+01 -0.665491D+01  0.751102D+01  0.458033D+01
               111           112           113           114           115 
      1   0.772435D+01  0.612432D+01 -0.111639D+01  0.251483D+00  0.129940D+02
      2  -0.532026D+01 -0.169245D+01  0.387653D+01  0.153579D+01 -0.100831D+02
      3  -0.240409D+01 -0.443187D+01 -0.276014D+01 -0.178727D+01 -0.291096D+01
      4   0.909328D+01  0.135831D+02  0.113000D+02  0.118969D+02  0.181645D+02
      5   0.172689D+02  0.793635D+01  0.105322D+02  0.100299D+02  0.293156D+02
      6   0.652916D+01  0.653755D+01  0.821442D+01  0.944056D+01  0.136423D+02
               116           117           118           119           120 
      1   0.114332D+01  0.629793D+01 -0.706106D+00 -0.276217D+00  0.108827D+01
      2   0.107672D+01 -0.124141D+02 -0.625411D+01  0.112136D+01  0.464112D+01
      3  -0.222003D+01  0.611620D+01  0.696022D+01 -0.845138D+00 -0.572938D+01
      4   0.185176D+02  0.198780D+02 -0.217802D+01  0.382027D+01 -0.430184D+00
      5   0.156343D+02  0.366546D+02 -0.957144D+01  0.669358D+00  0.118754D+02
      6   0.126146D+02  0.192153D+02 -0.351934D+00 -0.122041D+01  0.205108D+00
               121           122           123           124           125 
      1   0.463680D+01 -0.413262D+01 -0.214764D+01  0.829337D+01 -0.110215D+00
      2  -0.101571D+01 -0.568685D+00 -0.129098D+01  0.604069D+01 -0.284554D+01
      3  -0.362109D+01  0.470131D+01  0.343862D+01 -0.143341D+02  0.295576D+01
      4   0.546131D+01  0.492029D+00 -0.331444D+01 -0.523426D+00 -0.328229D+01
      5   0.161973D+01 -0.335105D+01 -0.157385D+01  0.170979D+02 -0.196609D+01
      6  -0.180827D+01  0.126474D+01  0.674246D+01  0.185792D+01  0.462070D+01
               126           127           128           129           130 
      1  -0.233055D+02 -0.380430D+01  0.737493D+01  0.561811D+01  0.499748D+01
      2  -0.189030D+02  0.349453D+01 -0.955708D+01 -0.492183D+01 -0.606376D+01
      3   0.422086D+02  0.309769D+00  0.218216D+01 -0.696271D+00  0.106628D+01
      4  -0.130861D+01 -0.640993D+01  0.124150D+01  0.326824D+01  0.191995D+01
      5  -0.240040D+02  0.299320D+00 -0.330941D+00 -0.337806D+00 -0.309268D+00
      6  -0.102238D+01  0.660422D+01 -0.395201D+01 -0.588347D+01 -0.274902D+01
               131           132           133           134           135 
      1  -0.121070D+02 -0.482326D+01  0.875873D+01 -0.843387D+01 -0.132693D+02
      2   0.141343D+02  0.492153D+01 -0.590588D+01  0.945957D+01  0.868294D+01
      3  -0.202722D+01 -0.982725D-01 -0.285285D+01 -0.102570D+01  0.458636D+01
      4  -0.834244D+00 -0.119535D+01  0.585890D+01 -0.495398D+00 -0.198233D+01
      5   0.499642D+00  0.120699D+01  0.247813D-01  0.205928D+01  0.344384D+01
      6   0.484579D+01  0.823211D+01 -0.537813D+01  0.110194D+02  0.130769D+02
               136           137           138           139           140 
      1  -0.183898D+01  0.438159D+01 -0.119337D+01  0.275485D+01 -0.317381D+02
      2   0.341983D+01 -0.293252D+01  0.153769D+00 -0.525875D+00  0.422580D+02
      3  -0.158086D+01 -0.144907D+01  0.103960D+01 -0.222897D+01 -0.105199D+02
      4   0.448038D+01  0.762523D+01 -0.323217D+01  0.739843D+01  0.190657D+02
      5  -0.110948D+01 -0.285337D+01  0.336960D+01 -0.206773D+01 -0.868199D+01
      6  -0.380496D+01 -0.186990D+00 -0.845465D+00 -0.980250D+00 -0.266605D+02
               141           142           143           144           145 
      1   0.153039D+02 -0.446964D+00  0.213020D+02 -0.183537D+02 -0.825109D+01
      2  -0.170677D+02 -0.156647D+01 -0.224762D+02  0.130912D+02  0.686213D+01
      3   0.176376D+01  0.201344D+01  0.117423D+01  0.526249D+01  0.138896D+01
      4  -0.896181D+01 -0.441505D+01 -0.129163D+02  0.807938D+01  0.169568D+01
      5   0.575928D+01  0.287241D+01  0.895513D+01 -0.808068D+01 -0.309251D+01
      6   0.186789D+02 -0.108275D-01  0.247512D+02 -0.215807D+02 -0.576619D+01
               146           147           148           149           150 
      1  -0.102087D+02  0.568093D+01 -0.791125D+01 -0.223978D+02  0.653766D+01
      2   0.115470D+02 -0.198094D+01  0.986516D+01  0.264281D+02 -0.191666D+01
      3  -0.133832D+01 -0.369999D+01 -0.195391D+01 -0.403025D+01 -0.462100D+01
      4  -0.133084D+00 -0.109945D+01  0.165777D+01 -0.830207D+01  0.256285D+01
      5  -0.464388D+01  0.277840D+01 -0.607216D+01 -0.281113D+01 -0.241984D+01
      6  -0.891908D+01  0.333522D+01 -0.623934D+01 -0.184562D+02  0.903483D+01
               151           152           153           154           155 
      1   0.121545D+01  0.131393D+01 -0.277930D+01 -0.790063D+01  0.312655D+01
      2   0.247981D+00  0.194552D+01  0.174989D+01 -0.180163D+01  0.259940D+01
      3  -0.146343D+01 -0.325946D+01  0.102941D+01  0.970226D+01 -0.572594D+01
      4  -0.127124D+01 -0.349668D+00 -0.947440D+00  0.291881D+01 -0.298738D+01
      5   0.273944D+01 -0.111535D+01 -0.166145D+00 -0.265867D+01  0.109912D+01
      6   0.127946D+01  0.531831D+01 -0.243631D+01  0.260916D+01 -0.548189D+01
               156           157           158           159           160 
      1   0.916039D+01  0.446489D+01 -0.928435D+01 -0.952761D+01  0.508719D+01
      2   0.199221D+01  0.145513D+01  0.188135D+01 -0.400124D+01  0.168341D+01
      3  -0.111526D+02 -0.592003D+01  0.740300D+01  0.135289D+02 -0.677059D+01
      4  -0.313187D+01 -0.333770D+01  0.674723D+01  0.381331D+01 -0.324134D+01
      5   0.381439D+01  0.202049D+01 -0.107229D+01  0.327493D+01  0.511260D+01
      6  -0.279537D+01 -0.464118D+01  0.860554D+01  0.553680D+01 -0.322836D+01
               161           162           163           164           165 
      1  -0.622372D+01 -0.106022D+02  0.173014D+02 -0.167366D+01  0.420203D+01
      2  -0.227713D+01 -0.667728D+01 -0.183699D+02  0.317251D+01 -0.154946D+02
      3   0.850085D+01  0.172794D+02  0.106848D+01 -0.149885D+01  0.112926D+02
      4   0.281897D+01  0.372576D+01 -0.130383D+02  0.938168D+01 -0.980778D+01
      5  -0.289498D-01  0.197922D+01  0.333744D+02 -0.985490D+01  0.307427D+02
      6   0.562517D+01  0.449998D+01 -0.791835D+01  0.688120D+01 -0.934189D+01
               166           167           168           169           170 
      1  -0.893805D+00 -0.151736D+01  0.965069D+00  0.398863D+01  0.839409D+00
      2   0.155856D+01 -0.610882D-01  0.199721D+00 -0.133856D+02  0.196497D+01
      3  -0.664754D+00  0.157845D+01 -0.116479D+01  0.939699D+01 -0.280438D+01
      4   0.728686D+01 -0.582439D+01  0.721369D+01 -0.803832D+01  0.616633D+01
      5  -0.586246D+01  0.754240D+01 -0.537738D+01  0.258381D+02 -0.825402D+01
      6   0.516832D+01 -0.596866D+01  0.798155D+01 -0.758409D+01  0.731032D+01
               171           172           173           174           175 
      1  -0.232490D+01  0.178650D+02 -0.155774D+01 -0.108933D+02  0.573320D+01
      2  -0.178579D+02 -0.132739D+02  0.727611D+00  0.113847D+02 -0.399899D+01
      3   0.201828D+02 -0.459106D+01  0.830134D+00 -0.491475D+00 -0.173421D+01
      4  -0.861044D+01 -0.501844D+01  0.272132D+01  0.864812D+00  0.953472D+00
      5   0.311347D+02 -0.157190D+02 -0.164708D+01  0.198447D+02 -0.661606D+01
      6  -0.106414D+02  0.294693D+01 -0.544813D-01 -0.507591D+01  0.232167D+00
               176           177           178           179           180 
      1  -0.171988D+01 -0.509820D+01 -0.137702D+02 -0.249510D+01  0.992726D+01
      2  -0.469591D+00  0.755817D+01  0.147127D+02  0.487674D+01 -0.247530D+02
      3   0.218948D+01 -0.245998D+01 -0.942528D+00 -0.238165D+01  0.148257D+02
      4   0.424413D+01 -0.531303D+01  0.376096D+01 -0.855343D+01 -0.332823D+01
      5  -0.583458D+01  0.925146D+01  0.271700D+02  0.307486D+00 -0.472594D+02
      6  -0.663776D-01  0.194153D+01 -0.746123D+01  0.479454D+01  0.145990D+02
               181           182           183           184           185 
      1  -0.823526D+01 -0.188291D+02 -0.183015D+01 -0.136040D+02 -0.338435D+02
      2   0.834401D+01  0.199216D+02  0.215718D+01  0.978620D+01  0.462676D+02
      3  -0.108755D+00 -0.109249D+01 -0.327025D+00  0.381784D+01 -0.124241D+02
      4  -0.260882D+00 -0.664305D+01 -0.326700D+01  0.487714D+01 -0.311774D+02
      5   0.294859D+01 -0.176476D+01 -0.723581D+00  0.672777D+00 -0.341135D+01
      6   0.109907D+01  0.574775D+01  0.392811D+01  0.219334D+01  0.126598D+02
               186           187           188           189           190 
      1  -0.693039D+01  0.539898D+00 -0.736003D+01 -0.401550D+01  0.656600D+02
      2   0.634377D+01  0.107763D+01  0.543328D+01  0.327697D+01 -0.273587D+02
      3   0.586625D+00 -0.161753D+01  0.192675D+01  0.738524D+00 -0.383013D+02
      4  -0.448682D+01 -0.238580D+01 -0.239315D+01 -0.431746D+01 -0.383724D+02
      5  -0.458695D+01  0.300217D+01 -0.451454D+01 -0.477575D+01  0.158679D+02
      6   0.856608D+01  0.730994D+00  0.866431D+01  0.460043D+01 -0.716725D+01
               191           192           193           194           195 
      1  -0.190218D+02  0.161257D+02 -0.110550D+02  0.595191D+01 -0.403711D+01
      2   0.454548D+01 -0.590567D+01  0.313677D+00  0.368510D+01  0.217588D+00
      3   0.144763D+02 -0.102201D+02  0.107413D+02 -0.963702D+01  0.381952D+01
      4   0.211482D+02 -0.101719D+02  0.185529D+02 -0.154607D+02  0.701270D+01
      5  -0.571062D+01  0.155114D+02 -0.494260D+01  0.525815D+01 -0.202532D+01
      6   0.367745D+01 -0.666588D+01  0.359535D+01 -0.200421D+01  0.293594D+01
               196           197           198           199           200 
      1   0.284300D+02 -0.874670D+01  0.144626D+02 -0.195466D+00  0.358488D+00
      2  -0.106176D+02  0.811322D+00 -0.867363D+01 -0.516816D+00  0.644788D-01
      3  -0.178124D+02  0.793538D+01 -0.578901D+01  0.712282D+00 -0.422967D+00
      4  -0.205375D+02  0.152165D+02 -0.946945D+01  0.750207D+00  0.282985D+01
      5   0.193666D+02 -0.604191D+01  0.136881D+02  0.259060D+00  0.148837D+01
      6  -0.824470D+01  0.416605D+01 -0.691687D+01  0.246645D+01  0.461457D+00
               201           202           203           204           205 
      1   0.600482D+00  0.385372D+01 -0.167473D+02 -0.734985D+01  0.123915D+01
      2  -0.527500D+00 -0.256442D+01  0.158530D+02  0.305521D+01 -0.291659D+01
      3  -0.729813D-01 -0.128930D+01  0.894298D+00  0.429464D+01  0.167744D+01
      4   0.108002D+01  0.252728D+01  0.499278D+01  0.186670D+01  0.183177D+01
      5   0.171202D+01  0.137995D+01  0.261068D+01  0.227391D+01  0.187687D+01
      6   0.824204D+00 -0.627098D+00  0.113935D+02  0.728886D+01  0.213776D+01
               206           207           208           209           210 
      1  -0.512903D+01 -0.272108D+01  0.816109D+00 -0.429864D+01 -0.155612D+01
      2   0.225261D+01  0.156918D+01  0.171260D+01  0.251189D+01  0.688369D+00
      3   0.287642D+01  0.115190D+01 -0.252871D+01  0.178675D+01  0.867751D+00
      4   0.803717D+00  0.113647D+01 -0.374794D+01  0.363160D+01  0.131151D+01
      5   0.191944D+01  0.861506D+00 -0.208565D+01  0.926470D+00  0.570880D+00
      6   0.551740D+01  0.424627D+01  0.812164D+00 -0.916232D+00 -0.431007D-02
               211           212           213           214           215 
      1  -0.404551D+01 -0.144563D+02 -0.187655D+01 -0.280833D+01 -0.212884D+01
      2   0.897566D+00  0.211960D+02  0.243185D+01 -0.275192D+00  0.335512D+01
      3   0.314794D+01 -0.673979D+01 -0.555298D+00  0.308353D+01 -0.122628D+01
      4   0.645495D+01 -0.177590D+02 -0.328002D+01  0.373413D+01 -0.444104D+01
      5   0.185549D+01 -0.257329D+01 -0.282008D+01 -0.181344D+01 -0.184030D+01
      6  -0.118569D+01  0.117791D+01  0.407501D+01  0.178656D+01  0.289087D+01
               216           217           218           219           220 
      1  -0.320159D+01  0.162396D+02 -0.726856D+01  0.704347D+01 -0.178688D+02
      2   0.270986D+01 -0.519280D+01  0.166448D+01 -0.296686D+01  0.355220D+01
      3   0.491730D+00 -0.110468D+02  0.560408D+01 -0.407661D+01  0.143166D+02
      4  -0.239055D+01 -0.875937D+01  0.105490D+02 -0.679659D+01  0.290486D+02
      5  -0.105312D+01  0.811814D+01 -0.599958D+01  0.369262D+01 -0.596694D+01
      6   0.174610D+01 -0.323319D+01  0.112828D+01 -0.482521D+00  0.281376D+01
               221           222           223           224           225 
      1   0.805620D+01 -0.636198D+00  0.180477D+02 -0.589065D+01  0.854153D+00
      2   0.110167D+02 -0.476179D+01 -0.696344D+01 -0.342230D+01  0.405757D+00
      3  -0.190729D+02  0.539799D+01 -0.110843D+02  0.931296D+01 -0.125991D+01
      4  -0.518112D+02  0.155397D+02 -0.162481D+02  0.249404D+02 -0.197332D+02
      5   0.167036D+02 -0.186766D+02  0.118820D+02 -0.208944D+02  0.179574D+02
      6  -0.727160D+01  0.750382D+01 -0.419636D+01  0.939402D+01 -0.697376D+01
               226           227           228           229           230 
      1   0.777598D-01 -0.790408D+00 -0.102453D+02 -0.521312D+01 -0.194542D+01
      2  -0.145501D+01  0.124508D+00  0.310715D+01  0.224274D+01  0.202191D+01
      3   0.137725D+01  0.665900D+00  0.713820D+01  0.297038D+01 -0.764893D-01
      4   0.317913D+01 -0.169240D+01 -0.205747D+01  0.107751D+02 -0.198164D+02
      5  -0.397248D+01 -0.284146D+01 -0.273800D+01  0.282541D+01 -0.126427D+02
      6   0.230182D+01  0.222057D+01  0.233355D+01 -0.150300D+01  0.769759D+01
               231           232           233           234           235 
      1  -0.611594D+01 -0.173842D+02 -0.601593D+01 -0.134254D+02  0.100212D+03
      2   0.182138D+01  0.114867D+02 -0.208790D+00 -0.882666D+01 -0.536288D+02
      3   0.429456D+01  0.589748D+01  0.622472D+01  0.222520D+02 -0.465834D+02
      4  -0.127369D+02  0.635719D+01 -0.142216D+02 -0.199552D+02  0.166709D+02
      5  -0.172675D+02  0.147108D+02 -0.216187D+02 -0.517043D+02 -0.123021D+02
      6   0.105835D+02 -0.331853D+01  0.117938D+02  0.170691D+02 -0.279999D+01
               236           237           238           239           240 
      1   0.206639D+02 -0.712429D+01  0.423155D+02  0.176280D+02 -0.445422D+01
      2  -0.119974D+02  0.519388D+01 -0.229606D+02 -0.826407D+01  0.253051D+01
      3  -0.866648D+01  0.193041D+01 -0.193548D+02 -0.936397D+01  0.192370D+01
      4   0.149904D+02 -0.279350D+01  0.201436D+02  0.146584D+02 -0.902467D+00
      5  -0.388349D+01  0.134459D+02 -0.702913D+01 -0.162266D+01  0.626858D+01
      6  -0.149997D+01  0.105662D+00 -0.242711D+01 -0.250405D+01  0.201435D+01
               241           242           243 
      1  -0.385083D+01 -0.248058D+01  0.105885D+02
      2   0.375235D+01  0.924703D+00 -0.732575D+01
      3   0.984833D-01  0.155588D+01 -0.326275D+01
      4  -0.253215D+01  0.804991D+00  0.150092D+01
      5   0.157742D+02  0.203729D+01 -0.599179D+01
      6   0.406343D+00  0.236666D+01  0.324572D+00
 Leave Link  716 at Thu Aug 12 22:27:31 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.164118D+03 -0.317419D+01 -0.514876D+01
      2  -0.317419D+01  0.118396D+03  0.208611D+01
      3  -0.514876D+01  0.208611D+01  0.101746D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.225791D+00  0.494113D+01 -0.748974D+01
      2   0.331795D+02 -0.105530D+02  0.301692D+02
      3   0.223303D+02 -0.129604D+02  0.113130D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.574051D+02 -0.126989D+02  0.199927D+02
      2   0.106636D+02  0.166030D+02 -0.312072D+02
      3   0.467415D+02 -0.390406D+01  0.112145D+02
      4   0.348067D+01  0.245063D+02 -0.229321D+02
      5   0.281483D+02 -0.241074D+02  0.791296D+02
      6  -0.359300D+01 -0.354620D+01  0.134817D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.309771D+01  0.128889D+01 -0.399833D+01  0.677022D+00  0.361634D+01
      2   0.128889D+01  0.357816D+01  0.219269D+01  0.361634D+01  0.217879D+01
      3  -0.399833D+01  0.219269D+01 -0.345877D+01  0.215990D+01 -0.153129D+01
                 6             7             8             9            10 
      1   0.215990D+01 -0.379142D+01  0.269785D+01 -0.324873D+01  0.206045D+02
      2  -0.153129D+01  0.269785D+01 -0.992975D+00 -0.900453D+00 -0.282835D+01
      3  -0.147601D+01 -0.324873D+01 -0.900453D+00  0.661994D+00  0.358164D+01
                11            12            13            14            15 
      1  -0.282835D+01  0.358164D+01 -0.982988D+01 -0.223354D+01 -0.262255D+01
      2  -0.274313D+01 -0.216844D+01 -0.223354D+01 -0.473639D+01  0.105143D+01
      3  -0.216844D+01  0.326745D+01 -0.262255D+01  0.105143D+01  0.970010D+00
                16            17            18            19            20 
      1   0.133084D+02 -0.324865D+01  0.536141D+01 -0.360303D+02  0.243883D+01
      2  -0.324865D+01  0.178308D+01  0.519183D+00  0.243883D+01 -0.207683D+01
      3   0.536141D+01  0.519183D+00 -0.236184D+01 -0.302928D+00  0.897896D+00
                21            22            23            24            25 
      1  -0.302928D+00  0.813837D+01 -0.259991D+01  0.221258D+01 -0.508270D+01
      2   0.897896D+00 -0.259991D+01 -0.232227D+01 -0.175264D+01  0.217894D+01
      3  -0.295500D+01  0.221258D+01 -0.175264D+01  0.184393D+01 -0.683853D+01
                26            27            28            29            30 
      1   0.217894D+01 -0.683853D+01  0.532158D+02 -0.777505D+00 -0.325031D+01
      2  -0.222230D+01  0.145298D+01 -0.777505D+00  0.180149D+01 -0.623003D+00
      3   0.145298D+01  0.493474D+01 -0.325031D+01 -0.623003D+00  0.268887D+01
                31            32            33            34            35 
      1  -0.127240D+02  0.184482D+01  0.153130D+00 -0.136406D+02 -0.132935D+01
      2   0.184482D+01  0.283123D+01  0.146133D+01 -0.132935D+01  0.933122D+00
      3   0.153130D+00  0.146133D+01 -0.114258D+01  0.608922D+01 -0.180390D+00
                36            37            38            39            40 
      1   0.608922D+01 -0.501615D+02 -0.245859D+01  0.325554D+01  0.121975D+02
      2  -0.180390D+00 -0.245859D+01 -0.104531D+01  0.908218D+00 -0.350761D+01
      3  -0.432408D+01  0.325554D+01  0.908218D+00 -0.193026D+01 -0.486841D+00
                41            42            43            44            45 
      1  -0.350761D+01 -0.486841D+00  0.143624D+02  0.137074D+01 -0.505597D+01
      2  -0.227987D+01 -0.138473D+01  0.137074D+01 -0.137202D+01  0.668200D+00
      3  -0.138473D+01  0.199271D+01 -0.505597D+01  0.668200D+00  0.232733D+01
                46            47            48            49            50 
      1   0.196938D+02  0.347165D+01 -0.145616D+01  0.220719D+02  0.803805D+01
      2   0.347165D+01 -0.357132D+00  0.823596D-01  0.803805D+01  0.580295D+01
      3  -0.145616D+01  0.823596D-01 -0.597534D+00  0.358852D-01  0.342954D+00
                51            52            53            54            55 
      1   0.358852D-01  0.178837D+01  0.172849D+01 -0.459798D+00 -0.689231D+01
      2   0.342954D+00  0.172849D+01  0.114942D+01  0.711278D+00 -0.341425D+01
      3  -0.213081D+00 -0.459798D+00  0.711278D+00  0.602467D+00 -0.482802D+00
                56            57            58            59            60 
      1  -0.341425D+01 -0.482802D+00 -0.232573D+02 -0.930563D+01  0.426823D+00
      2  -0.153064D+01 -0.430920D+00 -0.930563D+01 -0.110722D+02 -0.707952D+00
      3  -0.430920D+00 -0.495943D+00  0.426823D+00 -0.707952D+00 -0.159277D+01
                61            62            63            64            65 
      1  -0.543470D+01 -0.191512D+01 -0.170672D+01 -0.593375D+01  0.200453D+01
      2  -0.191512D+01 -0.111859D+01 -0.279559D+01  0.200453D+01  0.311414D+01
      3  -0.170672D+01 -0.279559D+01 -0.130846D+01 -0.239306D+01  0.266534D+01
                66            67            68            69            70 
      1  -0.239306D+01  0.157383D+01  0.255165D+01  0.289602D+01 -0.425921D+01
      2   0.266534D+01  0.255165D+01  0.358720D+01 -0.151758D+00  0.287235D+01
      3  -0.284768D+01  0.289602D+01 -0.151758D+00 -0.166049D+01 -0.384113D+01
                71            72            73            74            75 
      1   0.287235D+01 -0.384113D+01 -0.204775D+01 -0.223612D+01  0.174310D+01
      2  -0.476014D+00 -0.835731D+00 -0.223612D+01  0.186585D+01 -0.721693D+00
      3  -0.835731D+00  0.409859D+01  0.174310D+01 -0.721693D+00 -0.284284D+01
                76            77            78            79            80 
      1  -0.337863D+01  0.256634D+01 -0.162758D+01  0.188425D+00 -0.118319D+01
      2   0.256634D+01  0.591215D+01 -0.325922D+00 -0.118319D+01 -0.100915D+01
      3  -0.162758D+01 -0.325922D+00 -0.168234D+01 -0.467074D+01 -0.219276D+01
                81            82            83            84            85 
      1  -0.467074D+01 -0.315351D+01  0.208086D+01 -0.237133D+01  0.223180D+01
      2  -0.219276D+01  0.208086D+01  0.181207D+01  0.157986D+01  0.231718D+01
      3  -0.146436D+01 -0.237133D+01  0.157986D+01  0.983766D+00  0.128372D+01
                86            87            88            89            90 
      1   0.231718D+01  0.128372D+01 -0.213104D+01  0.190141D+01  0.137274D+01
      2  -0.817268D+00  0.307129D+01  0.190141D+01  0.426999D+01 -0.248472D+01
      3   0.307129D+01 -0.221380D+01  0.137274D+01 -0.248472D+01 -0.452100D+00
                91            92            93            94            95 
      1   0.252073D+01  0.437426D+01  0.724304D+00  0.739617D+01  0.252456D+01
      2   0.437426D+01  0.733955D+00 -0.162782D+01  0.252456D+01 -0.387265D+01
      3   0.724304D+00 -0.162782D+01 -0.124892D+01 -0.173367D+01  0.867381D+00
                96            97            98            99           100 
      1  -0.173367D+01  0.156727D+01 -0.167942D+01  0.577472D-01  0.657452D+01
      2   0.867381D+00 -0.167942D+01  0.134972D+01 -0.376487D+01  0.181259D+01
      3  -0.309520D+01  0.577472D-01 -0.376487D+01 -0.329957D+01 -0.272902D+01
               101           102           103           104           105 
      1   0.181259D+01 -0.272902D+01  0.841819D+00  0.111449D+01 -0.331180D+00
      2   0.137437D+01 -0.572255D+00  0.111449D+01  0.380521D+00 -0.705146D+00
      3  -0.572255D+00  0.210804D+01 -0.331180D+00 -0.705146D+00  0.536545D+00
               106           107           108           109           110 
      1  -0.454602D+01 -0.860312D+00  0.303576D+01  0.291007D+01  0.160797D+01
      2  -0.860312D+00 -0.139896D+01  0.116116D+01  0.160797D+01  0.812181D+00
      3   0.303576D+01  0.116116D+01 -0.267437D+01  0.184108D+01  0.861835D+00
               111           112           113           114           115 
      1   0.184108D+01  0.950876D+00  0.131795D+01  0.104543D+01  0.384435D+01
      2   0.861835D+00  0.131795D+01  0.153757D+01  0.153691D+01  0.185992D+01
      3   0.194101D+01  0.104543D+01  0.153691D+01  0.149056D+01  0.386686D+01
               116           117           118           119           120 
      1   0.185992D+01  0.386686D+01  0.530415D+01 -0.813800D+00 -0.186524D+01
      2   0.246572D+01  0.227136D+01 -0.813800D+00  0.542353D+00  0.202670D-01
      3   0.227136D+01  0.547296D+01 -0.186524D+01  0.202670D-01  0.177563D+01
               121           122           123           124           125 
      1  -0.432893D+01  0.890151D+00 -0.447956D-02 -0.338265D+01 -0.249929D+00
      2   0.890151D+00 -0.100739D+00 -0.106154D+01 -0.249929D+00 -0.113764D+01
      3  -0.447956D-02 -0.106154D+01 -0.924421D+00  0.338303D+01 -0.804648D+00
               126           127           128           129           130 
      1   0.338303D+01 -0.219232D+01  0.403761D+00  0.121491D+01  0.328284D+00
      2  -0.804648D+00  0.403761D+00 -0.160206D+01 -0.790411D+00 -0.108534D+01
      3  -0.859727D+01  0.121491D+01 -0.790411D+00 -0.131288D+01 -0.553751D+00
               131           132           133           134           135 
      1  -0.108534D+01 -0.553751D+00  0.189043D+01 -0.730479D+00 -0.106880D+01
      2   0.212374D+01  0.823557D+00 -0.730479D+00  0.170594D+01  0.171160D+01
      3   0.823557D+00  0.110698D+01 -0.106880D+01  0.171160D+01  0.298178D+01
               136           137           138           139           140 
      1   0.676962D+00  0.110970D+01 -0.478412D+00  0.381147D+00  0.140549D+00
      2   0.110970D+01 -0.980358D-01 -0.692510D-01  0.140549D+00  0.731576D+01
      3  -0.478412D+00 -0.692510D-01 -0.124467D+00 -0.151866D+00 -0.343811D+01
               141           142           143           144           145 
      1  -0.151866D+00 -0.967602D+00 -0.336764D+00 -0.231096D+00 -0.183856D+01
      2  -0.343811D+01 -0.336764D+00 -0.474581D+01  0.345048D+01 -0.184823D+01
      3   0.240509D+01 -0.231096D+00  0.345048D+01 -0.330543D+01  0.716990D+00
               146           147           148           149           150 
      1  -0.184823D+01  0.716990D+00 -0.180022D+01 -0.208256D+01  0.715836D-01
      2  -0.259320D+01  0.410146D+00 -0.208256D+01 -0.582980D+01  0.140416D+01
      3   0.410146D+00 -0.624085D+00  0.715836D-01  0.140416D+01 -0.147551D+01
               151           152           153           154           155 
      1   0.138441D+00 -0.178353D+00 -0.158646D+00 -0.205286D+01  0.981026D+00
      2  -0.178353D+00  0.147540D+00 -0.787244D+00  0.981026D+00 -0.149310D+01
      3  -0.158646D+00 -0.787244D+00  0.295247D+00  0.151881D+01 -0.677427D+00
               156           157           158           159           160 
      1   0.151881D+01  0.141650D+01 -0.144528D+01 -0.864596D+00  0.135026D+01
      2  -0.677427D+00 -0.144528D+01  0.227082D+01  0.118282D+01 -0.757149D+00
      3  -0.143824D+01 -0.864596D+00  0.118282D+01  0.234034D+01 -0.774082D+00
               161           162           163           164           165 
      1  -0.757149D+00 -0.774082D+00  0.534967D+01 -0.140778D+01  0.365801D+01
      2   0.103666D+01  0.122835D+01 -0.140778D+01  0.111391D+01 -0.136556D+01
      3   0.122835D+01  0.266719D+01  0.365801D+01 -0.136556D+01  0.417045D+01
               166           167           168           169           170 
      1  -0.594095D+00  0.772830D+00 -0.776456D+00  0.253782D+01 -0.104616D+01
      2   0.772830D+00 -0.116630D+01  0.129628D+01 -0.104616D+01  0.102537D+01
      3  -0.776456D+00  0.129628D+01 -0.705639D+00  0.327658D+01 -0.119343D+01
               171           172           173           174           175 
      1   0.327658D+01  0.256153D+01 -0.123841D+00 -0.177643D+01  0.102479D+01
      2  -0.119343D+01 -0.123841D+00  0.251285D-01 -0.247897D+00 -0.406077D-01
      3   0.475804D+01 -0.177643D+01 -0.247897D+00  0.218438D+01 -0.816219D+00
               176           177           178           179           180 
      1  -0.406077D-01 -0.816219D+00 -0.238960D+01  0.783769D-01  0.325005D+01
      2   0.501666D+00 -0.905498D+00  0.783769D-01 -0.134249D+01  0.382025D-01
      3  -0.905498D+00  0.140604D+01  0.325005D+01  0.382025D-01 -0.688595D+01
               181           182           183           184           185 
      1  -0.118976D+01 -0.125787D+01  0.617638D-01 -0.153976D+01 -0.727527D+00
      2  -0.125787D+01 -0.322866D+01 -0.779844D+00 -0.727527D+00 -0.797528D+01
      3   0.617638D-01 -0.779844D+00 -0.551490D+00 -0.255074D+00 -0.124822D+01
               186           187           188           189           190 
      1  -0.255074D+00  0.363144D+00 -0.458115D+00  0.131644D+00  0.822475D+01
      2  -0.124822D+01 -0.458115D+00 -0.849265D+00 -0.118074D+01 -0.309505D+01
      3  -0.110359D+01  0.131644D+00 -0.118074D+01 -0.947268D+00  0.213111D+01
               191           192           193           194           195 
      1  -0.309505D+01  0.213111D+01 -0.150179D+01  0.169388D+01 -0.795161D+00
      2   0.175998D+01 -0.852175D+00  0.169388D+01 -0.188631D+01  0.671004D+00
      3  -0.852175D+00  0.186336D+01 -0.795161D+00  0.671004D+00 -0.266891D+00
               196           197           198           199           200 
      1   0.462134D+01 -0.191314D+01  0.241919D+01  0.415148D+00 -0.900356D+00
      2  -0.191314D+01  0.172190D+01 -0.768713D+00 -0.900356D+00 -0.383463D+00
      3   0.241919D+01 -0.768713D+00  0.173690D+01 -0.585979D+00 -0.115147D+00
               201           202           203           204           205 
      1  -0.585979D+00 -0.165685D+01 -0.685995D-01  0.207166D+00 -0.186067D+01
      2  -0.115147D+00 -0.685995D-01 -0.565285D+01 -0.164967D+01  0.318269D+00
      3  -0.975932D-01  0.207166D+00 -0.164967D+01 -0.151917D+01 -0.837444D+00
               206           207           208           209           210 
      1   0.318269D+00 -0.837444D+00 -0.840838D+00  0.135761D+01  0.578221D+00
      2  -0.128042D+01 -0.112844D+01  0.135761D+01  0.253560D+00 -0.111940D+00
      3  -0.112844D+01 -0.734192D+00  0.578221D+00 -0.111940D+00 -0.117915D+00
               211           212           213           214           215 
      1   0.216904D+01 -0.373788D+00 -0.313148D+00  0.743205D+00 -0.492107D+00
      2  -0.373788D+00  0.592832D+01  0.110173D+01 -0.492107D+00  0.133579D+01
      3  -0.313148D+00  0.110173D+01  0.988773D+00  0.300482D+00  0.649552D+00
               216           217           218           219           220 
      1   0.300482D+00 -0.246715D+01  0.662481D+00 -0.883943D+00  0.280237D+01
      2   0.649552D+00  0.662481D+00 -0.714444D+00  0.592881D+00 -0.289399D+01
      3   0.203818D+00 -0.883943D+00  0.592881D+00 -0.216268D+00  0.488374D+00
               221           222           223           224           225 
      1  -0.289399D+01  0.488374D+00 -0.236596D+01  0.152980D+01 -0.106147D+01
      2   0.614770D+01 -0.182159D+01  0.152980D+01 -0.290910D+01  0.241110D+01
      3  -0.182159D+01  0.225491D+01 -0.106147D+01  0.241110D+01 -0.202845D+01
               226           227           228           229           230 
      1  -0.488403D+00 -0.339118D+00  0.768247D+00  0.911890D+00 -0.108831D+01
      2  -0.339118D+00  0.524415D+00  0.608905D+00 -0.108831D+01  0.266463D+01
      3   0.768247D+00  0.608905D+00  0.984947D+00 -0.262101D+00  0.179218D+01
               231           232           233           234           235 
      1  -0.262101D+00  0.272303D+01 -0.498868D+00 -0.123630D+01 -0.966490D+01
      2   0.179218D+01 -0.498868D+00  0.201505D+01  0.284091D+01 -0.209330D+01
      3   0.229775D+01 -0.123630D+01  0.284091D+01  0.700377D+01  0.780212D+00
               236           237           238           239           240 
      1  -0.209330D+01  0.780212D+00 -0.450178D+01 -0.193609D+01  0.614053D+00
      2  -0.144554D+01  0.333389D+00 -0.193609D+01 -0.147112D+01  0.810624D-01
      3   0.333389D+00 -0.110802D+01  0.614053D+00  0.810624D-01 -0.562152D+00
               241           242           243 
      1   0.425305D+00  0.340956D+00 -0.135526D+01
      2   0.340956D+00 -0.845775D-01 -0.966247D-01
      3  -0.135526D+01 -0.966247D-01  0.638476D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.246945D+01  0.104809D+02  0.170125D+01  0.107810D+02  0.390608D+01
      2  -0.699074D+01  0.548442D+00  0.542908D+01  0.201491D+01 -0.107212D+02
      3  -0.108532D+01 -0.101463D+02  0.876471D+00 -0.519008D+01 -0.786256D+01
                 6             7             8             9            10 
      1  -0.806562D+01  0.201942D+01 -0.121118D+01 -0.325675D+01  0.654340D+01
      2  -0.737475D+01 -0.129529D+01 -0.625736D+01  0.690313D+01  0.245401D+02
      3  -0.398855D+00 -0.126263D+01 -0.631959D+00  0.431394D+01  0.419108D+01
                11            12            13            14            15 
      1  -0.523008D+01  0.219001D+01 -0.440495D+01 -0.200497D+00 -0.390586D+01
      2  -0.728108D+01  0.123682D+02 -0.147739D+02  0.501970D+01  0.244409D+01
      3   0.519114D+01  0.192712D+01  0.124690D+02  0.157297D+02 -0.105277D+01
                16            17            18            19            20 
      1   0.107534D+01  0.584148D+01 -0.818599D+00 -0.801644D+01  0.344915D+01
      2   0.137592D+02  0.208870D+01 -0.296949D+01 -0.269707D+02  0.419748D+01
      3   0.414788D+01  0.202123D+00 -0.383184D+01 -0.556420D+01 -0.509295D+01
                21            22            23            24            25 
      1  -0.231191D+01  0.232467D+01  0.596613D+01 -0.122606D+01 -0.142813D+01
      2   0.713350D+00  0.114434D+02 -0.450754D+01  0.422505D+01 -0.188675D+02
      3   0.818946D+00  0.940609D+01 -0.103746D+01  0.892338D+00  0.991934D+00
                26            27            28            29            30 
      1   0.435980D+01 -0.354708D+01  0.728918D+01 -0.878450D+00  0.156389D+01
      2   0.351014D+01 -0.352384D+01  0.308754D+02 -0.381885D-01 -0.716778D+01
      3   0.855996D+00 -0.139786D+01  0.125541D+02  0.296956D+01 -0.272601D+01
                31            32            33            34            35 
      1   0.161704D+01 -0.367027D+01 -0.606640D+00 -0.163965D+01  0.275240D+01
      2  -0.669675D+01  0.127133D+01  0.581351D+00 -0.373847D+02 -0.745083D+00
      3   0.105876D+02  0.999346D+00 -0.426773D+00 -0.728609D+01 -0.206731D+01
                36            37            38            39            40 
      1   0.262343D+01 -0.281161D+01  0.924529D-01 -0.562160D-02  0.272586D+01
      2   0.827769D+01 -0.292451D+02 -0.238850D+01  0.113558D+02  0.615716D+01
      3   0.170670D+01 -0.223306D+02 -0.114704D+02  0.294857D+01  0.103138D+02
                41            42            43            44            45 
      1  -0.711326D+00 -0.104094D+00  0.852743D+01  0.472302D+01 -0.114821D+01
      2   0.812150D-01 -0.616968D+00  0.174217D+02 -0.171086D+01 -0.876842D+01
      3  -0.500420D+01 -0.328917D+01  0.793048D+01 -0.936374D+00 -0.702001D+00
                46            47            48            49            50 
      1  -0.909931D+00  0.260276D+01 -0.219683D+01  0.347324D+01 -0.170326D+01
      2   0.472712D+01  0.541721D+01 -0.124800D+02  0.107613D+02  0.133917D+01
      3   0.666608D+01  0.283205D+01 -0.256797D+01  0.380621D+02  0.251961D+02
                51            52            53            54            55 
      1   0.420698D+01  0.342267D+01  0.733921D+01  0.360316D+01  0.202191D+01
      2  -0.837959D+01 -0.255494D+02 -0.495568D+00  0.459799D+01 -0.572077D+00
      3  -0.148414D+01 -0.441117D+00  0.398011D+01  0.195912D+01 -0.361199D+01
                56            57            58            59            60 
      1  -0.342545D+00  0.213414D+00 -0.985114D+00  0.267338D+00 -0.918695D+01
      2  -0.549910D+00  0.770959D+01 -0.975123D+01 -0.806402D+00  0.127464D+02
      3  -0.813878D+01 -0.998850D+00 -0.211797D+02 -0.415516D+02 -0.188123D+01
                61            62            63            64            65 
      1   0.411259D+00  0.119280D+01 -0.229957D+01 -0.523182D+01  0.355371D+01
      2   0.626870D+01  0.665546D+01  0.282830D+01 -0.107541D+02  0.106252D+02
      3  -0.389778D+01 -0.553219D+01 -0.762076D+01  0.186777D+01 -0.174979D+02
                66            67            68            69            70 
      1  -0.740327D+01  0.393124D+01 -0.325524D+01 -0.456841D+01 -0.104114D+02
      2  -0.895264D+01  0.981507D+01  0.752563D+00 -0.331756D+01 -0.176207D+02
      3  -0.572119D+01 -0.685792D+01 -0.193802D+02 -0.468073D+01 -0.478444D+01
                71            72            73            74            75 
      1   0.184730D+01  0.845765D+01 -0.455576D+01  0.348032D+01  0.394869D+01
      2   0.122353D+00  0.114093D+02  0.288923D+01 -0.137579D+01 -0.849340D+01
      3  -0.463948D+01  0.919188D+01  0.837543D+01 -0.153984D+02  0.763563D+01
                76            77            78            79            80 
      1   0.265083D+01  0.348517D+01  0.392227D+00  0.788072D+01  0.662739D+01
      2  -0.499316D+01 -0.164830D+01 -0.599356D+01 -0.215146D+02 -0.852138D+01
      3  -0.864470D+01 -0.160933D+02 -0.202197D+00  0.836798D+01 -0.936491D+00
                81            82            83            84            85 
      1   0.205926D+01  0.549841D+01 -0.582748D+01 -0.287430D+01 -0.836727D+01
      2  -0.579730D+01 -0.474618D+01  0.256492D+01  0.283562D+01  0.465113D+01
      3   0.159502D+01 -0.113648D+02 -0.841667D+00 -0.875512D+01  0.749053D+01
                86            87            88            89            90 
      1  -0.105200D+02  0.102382D+01 -0.230292D+01  0.855622D+01  0.131371D+01
      2   0.413361D+01 -0.136587D+01 -0.169698D+01 -0.228300D+00 -0.137597D+00
      3   0.513680D+01  0.106516D+01 -0.114671D+02  0.327291D+00  0.652079D+01
                91            92            93            94            95 
      1   0.103240D+01  0.143950D+01  0.245311D+01  0.421039D+01 -0.326453D+01
      2  -0.465660D+01  0.543613D+01  0.121837D+02  0.690717D+01 -0.541896D+01
      3   0.195781D+02  0.250051D+01 -0.598886D+01  0.185393D+02 -0.140584D+02
                96            97            98            99           100 
      1   0.564979D+00 -0.576716D+01  0.879855D+01  0.166017D+01  0.392108D+01
      2   0.121327D+02 -0.945454D+01  0.212790D+02  0.153770D+02 -0.834609D+01
      3   0.210620D+01 -0.610650D+01  0.560308D+01 -0.165780D+02  0.408551D+01
               101           102           103           104           105 
      1  -0.131755D+00 -0.348046D+01  0.363832D+00  0.794969D+00 -0.165587D+01
      2  -0.158227D+01  0.883539D+01 -0.128305D+01 -0.201991D+01  0.187583D+01
      3  -0.363412D+01 -0.213988D+01 -0.479340D+00  0.808883D+00  0.186325D+01
               106           107           108           109           110 
      1  -0.404807D+01  0.982933D-01  0.417733D+01 -0.210524D+01 -0.270063D+00
      2   0.725338D+01  0.315737D+01 -0.903993D+01  0.343557D+01  0.230151D+01
      3  -0.381406D+01  0.460336D+01  0.689358D+00  0.103837D+00 -0.180711D+01
               111           112           113           114           115 
      1  -0.292953D+01 -0.159211D+01 -0.128405D+01 -0.275673D+01 -0.477145D+01
      2   0.703066D+01  0.198001D+01  0.477143D+01  0.486715D+01  0.907722D+01
      3  -0.214393D+00 -0.228641D+00 -0.301559D+01 -0.304186D+01 -0.285854D+00
               116           117           118           119           120 
      1   0.430062D+00 -0.818453D+01  0.109324D+01 -0.150777D+01 -0.516409D+00
      2   0.661993D+01  0.174853D+02  0.406271D+01 -0.133199D+01  0.880968D+00
      3  -0.663848D+01 -0.179283D+01  0.145653D+01 -0.169680D+01 -0.655032D+00
               121           122           123           124           125 
      1  -0.273580D+01  0.104514D+00  0.801241D+00  0.859597D+00  0.385613D+01
      2  -0.473376D+01  0.471404D+00 -0.612754D+00 -0.330899D+01 -0.892207D+00
      3   0.977124D+00 -0.168404D+00  0.641753D+00 -0.796234D+00  0.146156D+01
               126           127           128           129           130 
      1   0.333807D+01 -0.337151D+01  0.176001D+01  0.398438D+01  0.173156D+01
      2  -0.452698D+01  0.270799D+01 -0.845525D+00 -0.358279D+00 -0.979603D+00
      3   0.120540D+01 -0.870417D+01  0.167276D+01  0.498228D+01  0.344568D+01
               131           132           133           134           135 
      1  -0.185594D+01 -0.370800D+01  0.317653D+01 -0.220239D+01 -0.858991D+01
      2   0.102078D+01  0.885991D+00 -0.327576D+01  0.183992D+01  0.260768D+01
      3  -0.557641D+01 -0.276816D+01  0.750496D+01 -0.384842D+01 -0.620559D+01
               136           137           138           139           140 
      1   0.302771D+00  0.428994D+00  0.582653D+00 -0.261076D+00  0.377192D+01
      2  -0.930439D-01  0.326429D+00  0.393672D+00  0.870392D+00 -0.332991D+01
      3  -0.138225D+01  0.149431D+01 -0.699683D+00  0.454746D+01 -0.102541D+02
               141           142           143           144           145 
      1  -0.632747D+01  0.816754D+00 -0.395642D+01  0.688490D+01 -0.334148D+01
      2   0.240758D+01 -0.230720D+01  0.349848D+01 -0.360225D+01  0.645995D+01
      3   0.461658D+01 -0.241868D+01  0.567630D+01 -0.569293D+01  0.739383D+01
               146           147           148           149           150 
      1  -0.543657D+01 -0.111350D+01 -0.495628D+01 -0.971795D+01 -0.175343D+01
      2   0.454558D+01 -0.121222D+01  0.497006D+01  0.758560D+01 -0.166990D+01
      3   0.538056D+01 -0.130129D+01  0.837252D+01  0.110793D+02 -0.247704D+01
               151           152           153           154           155 
      1  -0.836270D+00  0.383456D+00 -0.143035D+01  0.422903D+01 -0.534592D+01
      2  -0.179228D+01 -0.968595D+00  0.747451D+00  0.976171D+01 -0.417305D+01
      3   0.676191D+00  0.187332D+00  0.165638D+01 -0.184489D+00  0.170997D+00
               156           157           158           159           160 
      1  -0.209776D+01 -0.471800D+01  0.777332D+01  0.237053D+01 -0.241587D+01
      2  -0.409347D+01 -0.597964D+01  0.595043D+01  0.525416D+01 -0.566615D+01
      3  -0.167778D+00  0.262846D+01 -0.106758D+01 -0.869840D+00  0.498044D+00
               161           162           163           164           165 
      1   0.448251D+01  0.404817D+01  0.101839D+01  0.186377D+01  0.196126D+01
      2   0.387545D+01  0.553216D+01 -0.367771D+01 -0.430515D+00  0.342998D+01
      3  -0.716387D-01 -0.101959D+01 -0.206180D+01 -0.265717D+01 -0.260320D+00
               166           167           168           169           170 
      1   0.411740D+00 -0.972945D+00  0.457418D+00  0.117878D+01  0.254731D+01
      2   0.732120D+00  0.136490D+01  0.274153D+00 -0.268232D+01  0.196019D-01
      3   0.231384D+00  0.179050D+01 -0.143704D+01 -0.157505D+01 -0.170863D+01
               171           172           173           174           175 
      1   0.292977D+01 -0.284288D+01 -0.115340D+01  0.405989D+01 -0.867251D+00
      2   0.349069D+01 -0.344155D+01 -0.776902D+00  0.685604D+01 -0.110845D+01
      3  -0.817102D+00 -0.301629D+01 -0.936706D+00  0.359446D+01 -0.769460D-01
               176           177           178           179           180 
      1  -0.259425D+01  0.207346D+01  0.494219D+01  0.424277D+01 -0.113973D+02
      2  -0.295291D+01  0.419376D+01  0.578333D+01  0.714020D+00 -0.201049D+02
      3  -0.203216D+01  0.389583D+01  0.340679D+01  0.549026D+01 -0.510706D+01
               181           182           183           184           185 
      1   0.911213D+00  0.484300D+00 -0.148772D+01  0.326876D+00  0.250359D+01
      2  -0.120136D+01 -0.305476D+01 -0.541404D+00 -0.220108D+01 -0.457193D+01
      3   0.849704D+01  0.118327D+02  0.230122D+01  0.841986D+01  0.272866D+02
               186           187           188           189           190 
      1  -0.369620D+01  0.331755D+00 -0.263107D+00 -0.137026D+01  0.540883D+01
      2  -0.285890D+01 -0.501959D+00 -0.356239D+01 -0.251575D+01  0.104250D+02
      3   0.458650D+01  0.163501D+01  0.385673D+01  0.350455D+01 -0.387949D+01
               191           192           193           194           195 
      1  -0.189968D+01  0.459278D+01 -0.243751D+01  0.188260D+01 -0.184056D+01
      2  -0.441707D+01  0.997332D+01 -0.374005D+01  0.317014D+01 -0.186291D+01
      3  -0.328940D+01 -0.701502D+00 -0.708885D+00  0.395869D+01 -0.733045D+00
               196           197           198           199           200 
      1   0.456070D+01 -0.525673D+00  0.365517D+01 -0.729288D+00  0.545894D+00
      2   0.868851D+01 -0.305490D+01  0.796940D+01  0.664731D+00 -0.614027D+00
      3  -0.504212D+00 -0.364547D+01 -0.134727D+01  0.959125D+00  0.548872D-01
               201           202           203           204           205 
      1  -0.819416D+00  0.120285D+01  0.542684D+01 -0.248296D+01 -0.614576D+01
      2   0.970780D-01 -0.183355D+01 -0.483245D+00  0.142320D+01 -0.177527D+01
      3  -0.112002D+00  0.421052D+01 -0.298700D+01  0.220620D+00  0.145295D+01
               206           207           208           209           210 
      1   0.120199D+01  0.487318D+00 -0.172010D+01  0.125940D+00  0.183159D+00
      2   0.951807D+00 -0.702777D-01 -0.378706D+01  0.224459D+00  0.571647D+00
      3  -0.124796D+00 -0.123690D+01  0.359992D+01  0.181720D+01  0.217723D+00
               211           212           213           214           215 
      1   0.176837D+01 -0.914686D+00 -0.376703D+01 -0.608229D+01  0.346350D+00
      2   0.236137D+01 -0.297295D+01 -0.258109D+01 -0.952324D+01 -0.147791D+01
      3   0.469229D+01  0.113010D+02  0.210767D+01  0.924043D+00  0.228541D+01
               216           217           218           219           220 
      1   0.589255D-01  0.394624D+00 -0.736101D+00  0.618075D+00 -0.236011D+01
      2   0.561722D+00  0.197562D+01 -0.226204D+01  0.256013D+01 -0.385873D+01
      3   0.138329D+01  0.106832D+01 -0.328594D+01  0.170136D+01 -0.771027D+01
               221           222           223           224           225 
      1   0.465315D+01 -0.430560D+01  0.247673D+01 -0.282504D+01  0.347647D+01
      2   0.101403D+02 -0.962112D+01  0.690214D+01 -0.120534D+02  0.872703D+01
      3   0.236929D+02 -0.756530D+01  0.403037D+01 -0.116640D+02  0.953171D+01
               226           227           228           229           230 
      1   0.246020D+00 -0.342800D+00 -0.106029D+01 -0.362695D-01 -0.435748D-01
      2  -0.111714D+01 -0.372450D+01 -0.520882D+01 -0.117545D-01 -0.800076D+01
      3  -0.253223D+00  0.821058D+00  0.300986D+01 -0.226703D+01  0.984765D+01
               231           232           233           234           235 
      1  -0.208352D+01  0.152380D+01 -0.641308D-01 -0.529367D+01 -0.180499D+01
      2  -0.992223D+01  0.349362D+01 -0.133191D+02 -0.308561D+02  0.502125D+00
      3   0.723917D+01  0.120797D+01  0.784192D+01  0.110276D+02 -0.153672D+02
               236           237           238           239           240 
      1  -0.120506D+01  0.244476D+00 -0.122550D+01 -0.868659D+00 -0.731348D+00
      2  -0.299721D+00  0.616551D+01 -0.719431D+00  0.361526D+00  0.286582D+01
      3  -0.100478D+02  0.195574D+01 -0.898573D+01 -0.832595D+01  0.499042D+00
               241           242           243 
      1   0.105452D+01  0.624695D+00 -0.396761D+00
      2   0.350458D+01  0.542285D+00 -0.202801D+01
      3   0.186518D+01  0.737778D-01 -0.935994D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.578649D+01  0.461803D+01 -0.749292D+01  0.264617D+01  0.190380D+02
      2   0.680801D+01 -0.176292D+02  0.117826D+02 -0.145809D+02 -0.122338D+02
      3  -0.125945D+02  0.130112D+02 -0.428965D+01  0.119347D+02 -0.680423D+01
      4   0.723168D+01  0.760658D+01  0.123895D+02  0.920989D+01 -0.761381D+00
      5  -0.208779D+02  0.116332D+02 -0.254833D+02  0.112949D+02  0.414173D+01
      6   0.688028D+01  0.682570D+01  0.116407D+02  0.744768D+01  0.640399D+01
                 6             7             8             9            10 
      1   0.948651D+01 -0.468930D+01  0.119781D+02 -0.173225D+02 -0.188376D+00
      2   0.293796D+00  0.909907D+01 -0.223255D+01  0.964844D+01 -0.252157D+01
      3  -0.978031D+01 -0.440977D+01 -0.974553D+01  0.767403D+01  0.270995D+01
      4  -0.630170D+01  0.146638D+02 -0.648093D+01  0.299590D+01 -0.186090D+02
      5   0.107858D+01 -0.247693D+02  0.520903D+01 -0.858576D+01  0.954133D+01
      6  -0.285053D+01  0.113209D+02 -0.193076D+01 -0.568388D+01 -0.746391D+01
                11            12            13            14            15 
      1  -0.703269D+01  0.218731D+01  0.122863D+01 -0.225866D+02 -0.928229D+01
      2   0.954131D+01 -0.150955D+01  0.141674D+01  0.973510D+01  0.215087D+01
      3  -0.250862D+01 -0.677755D+00 -0.264538D+01  0.128515D+02  0.713142D+01
      4  -0.139444D+02 -0.124599D+02 -0.150098D+02 -0.219730D+02  0.597171D+01
      5  -0.106817D+02  0.133358D+02 -0.114617D+02  0.643628D+00  0.600263D+01
      6   0.616001D+01 -0.229960D+01  0.224606D+01 -0.911323D+01 -0.148084D+01
                16            17            18            19            20 
      1   0.365404D+01 -0.151572D+02  0.151117D+02  0.289321D+02  0.961885D+01
      2   0.355015D+01  0.543406D+01 -0.102157D+02 -0.113898D+02 -0.973546D+01
      3  -0.720419D+01  0.972316D+01 -0.489596D+01 -0.175424D+02  0.116614D+00
      4  -0.210188D+02  0.110338D+02  0.150621D+01  0.225048D+02 -0.456279D+01
      5   0.201566D+02  0.234584D+01 -0.875765D+01  0.105212D+02  0.260487D+01
      6  -0.266816D+01 -0.110593D+01  0.764979D+01  0.752907D+01  0.113146D+01
                21            22            23            24            25 
      1  -0.506020D+01  0.538837D+01  0.246017D+01  0.341682D+01 -0.194578D+02
      2  -0.278665D+01 -0.554561D+01 -0.700223D+01 -0.147491D+01 -0.677089D+01
      3   0.784685D+01  0.157242D+00  0.454206D+01 -0.194192D+01  0.262287D+02
      4   0.465166D+01 -0.802605D+01 -0.331863D+01 -0.517637D+01  0.119829D+02
      5  -0.641760D+01  0.488435D+01 -0.118039D+01  0.338402D+01 -0.174125D+02
      6   0.581845D-01  0.176741D+01  0.378179D+01  0.294586D+01 -0.236917D+01
                26            27            28            29            30 
      1   0.756719D+01  0.105269D+02 -0.107072D+03 -0.153933D+01  0.868744D+01
      2  -0.520542D+01  0.134272D+02  0.411609D+02 -0.908932D+00 -0.223772D+01
      3  -0.236177D+01 -0.239541D+02  0.659111D+02  0.244826D+01 -0.644972D+01
      4  -0.898570D+01  0.326570D+01 -0.147950D+02 -0.743873D+01  0.196975D+01
      5   0.350803D+01  0.152563D+02 -0.947424D+01  0.184527D+01 -0.870119D+01
      6   0.327393D+01 -0.618218D+00 -0.690199D+01 -0.299604D+01  0.117263D+01
                31            32            33            34            35 
      1   0.379827D+02  0.308869D+01  0.228111D+01  0.372271D+02  0.610773D+01
      2  -0.168655D+02 -0.239680D+01 -0.180328D+01 -0.865844D+01 -0.447083D+01
      3  -0.211172D+02 -0.691888D+00 -0.477825D+00 -0.285687D+02 -0.163690D+01
      4   0.778081D+00 -0.355005D+01 -0.192978D+01  0.259941D+01  0.436719D+01
      5  -0.196890D+01 -0.291867D+01  0.160110D+01 -0.214609D+01 -0.158660D+01
      6  -0.120208D+01 -0.876398D+01 -0.175564D+01 -0.853860D+00  0.309256D+01
                36            37            38            39            40 
      1  -0.260618D+02  0.134593D+03  0.789326D+01 -0.126825D+02 -0.335775D+02
      2  -0.151502D+01 -0.481337D+02 -0.153223D+01  0.309123D+01  0.154664D+02
      3   0.275768D+02 -0.864596D+02 -0.636103D+01  0.959128D+01  0.181110D+02
      4  -0.198508D+01  0.243767D+02  0.182258D+02 -0.403521D+01  0.196755D+02
      5   0.915699D+01  0.577211D+01 -0.146128D+01  0.164326D+02 -0.124313D+01
      6  -0.286966D+01  0.736997D+01  0.253927D+01 -0.336861D+01  0.229723D+01
                41            42            43            44            45 
      1   0.880184D+01  0.701635D+01 -0.337912D+02  0.172139D+00  0.512678D+01
      2  -0.849784D+01 -0.258890D+01  0.146373D+02 -0.214865D+01 -0.704808D+01
      3  -0.304001D+00 -0.442745D+01  0.191538D+02  0.197651D+01  0.192130D+01
      4   0.719633D+01  0.324474D+01 -0.108079D+02  0.150557D+01 -0.206723D+01
      5   0.559001D+01 -0.561357D+01  0.237570D+02 -0.325461D+01 -0.525441D+01
      6  -0.265222D+01  0.413880D+01 -0.941984D+01  0.517985D+01 -0.768481D+00
                46            47            48            49            50 
      1  -0.623663D+02  0.317180D+01  0.380408D+01 -0.415020D+02 -0.165259D+02
      2   0.179960D+02 -0.476764D+01 -0.539055D+01  0.400554D+01 -0.472656D+01
      3   0.443703D+02  0.159583D+01  0.158648D+01  0.374965D+02  0.212525D+02
      4  -0.143166D+02 -0.179079D+02 -0.126160D+01 -0.645294D+02 -0.454453D+02
      5   0.314516D+01 -0.495777D+01 -0.143131D+02 -0.193500D+02 -0.694866D+01
      6  -0.941235D+01  0.168230D+01  0.226569D+01 -0.792885D+01 -0.508166D+01
                51            52            53            54            55 
      1  -0.272422D+01  0.339883D+01 -0.560413D+01 -0.356769D+01  0.348003D+02
      2   0.445563D+01 -0.519686D+01 -0.927916D+00 -0.313717D+01 -0.139737D+02
      3  -0.173141D+01  0.179803D+01  0.653205D+01  0.670486D+01 -0.208266D+02
      4  -0.147982D+01 -0.159542D+02 -0.470216D+01 -0.465615D+01  0.272317D+02
      5  -0.659792D+01 -0.316503D+00 -0.540440D+01  0.118594D+01  0.781418D+01
      6  -0.643700D+01  0.607396D+00  0.323662D+01 -0.455104D+01  0.239725D+01
                56            57            58            59            60 
      1   0.139355D+02  0.273146D+01  0.646335D+02  0.143431D+01 -0.384215D+01
      2  -0.365084D+01 -0.420274D+00 -0.146458D+02  0.304217D+02  0.523064D+00
      3  -0.102847D+02 -0.231119D+01 -0.499877D+02 -0.318560D+02  0.331908D+01
      4   0.243218D+02  0.354204D+01  0.699073D+02  0.804064D+02  0.600983D+01
      5   0.482538D+01  0.127166D+02  0.100055D+02  0.119003D+02  0.170968D+02
      6   0.151973D+01  0.217433D+01  0.898026D+01  0.611676D+01  0.146304D+02
                61            62            63            64            65 
      1   0.162433D+02  0.249264D+01 -0.456461D+00 -0.277301D+02  0.243957D+02
      2  -0.580173D+01 -0.564777D+00 -0.166789D+00  0.109330D+02 -0.223058D+02
      3  -0.104416D+02 -0.192786D+01  0.623249D+00  0.167971D+02 -0.208995D+01
      4   0.136551D+02  0.895329D+01  0.198978D+02  0.203963D+02  0.933231D+01
      5   0.209129D+02  0.197475D+02  0.997359D+01 -0.156458D+02  0.158981D+02
      6   0.933471D+01  0.135811D+02  0.610951D+01  0.101093D+02 -0.132546D+02
                66            67            68            69            70 
      1  -0.121544D+02  0.167676D+02  0.301949D+02  0.191900D+02 -0.192959D+02
      2  -0.388341D+01 -0.140220D+02 -0.266876D+02 -0.130118D+02 -0.282766D+01
      3   0.160378D+02 -0.274555D+01 -0.350739D+01 -0.617827D+01  0.221236D+02
      4   0.203876D+02  0.103708D+02  0.583048D+01 -0.736364D+01  0.259116D+02
      5  -0.184895D+02  0.177834D+02 -0.533617D+01 -0.109814D+02 -0.246191D+02
      6   0.579960D+01 -0.109591D+02 -0.210686D+01  0.295291D+01  0.777543D+01
                71            72            73            74            75 
      1   0.216109D+02 -0.234922D+02  0.119940D+01 -0.136913D+02  0.212883D+02
      2  -0.127421D+02  0.233933D+02 -0.216018D+01  0.103413D+02 -0.121609D+02
      3  -0.886875D+01  0.989550D-01  0.960782D+00  0.335002D+01 -0.912739D+01
      4  -0.105060D+02  0.893310D+00 -0.113200D+02  0.195954D+01  0.353091D+01
      5  -0.555353D+01  0.273445D+02  0.116357D+02 -0.232580D+01 -0.201967D+02
      6   0.282133D+01 -0.560086D+01  0.503527D+01 -0.601924D+01 -0.741686D+01
                76            77            78            79            80 
      1  -0.174861D+02  0.123382D+02 -0.478312D+01  0.236880D+02 -0.437889D-02
      2   0.169472D+02  0.207969D+01  0.418185D+01 -0.133478D+02  0.276389D+00
      3   0.538895D+00 -0.144179D+02  0.601272D+00 -0.103402D+02 -0.272010D+00
      4   0.989523D+01  0.362313D+02 -0.405069D+01 -0.621433D+00 -0.875034D+01
      5  -0.866539D+01  0.202094D+01 -0.123836D+02 -0.326867D+02 -0.160032D+02
      6  -0.337847D+01  0.829542D+00 -0.488092D+01 -0.135926D+02 -0.710152D+01
                81            82            83            84            85 
      1  -0.196786D+02 -0.172337D+02 -0.160608D+01 -0.142388D+02 -0.962621D+00
      2   0.130236D+02  0.149327D+02  0.702170D+01  0.131851D+02  0.433183D+01
      3   0.665506D+01  0.230104D+01 -0.541562D+01  0.105377D+01 -0.336921D+01
      4  -0.210673D+02 -0.531750D+00  0.940542D+01 -0.439114D+01  0.880063D+01
      5  -0.108535D+02 -0.674340D+01  0.226445D+01  0.168475D+01  0.503104D+01
      6  -0.901631D+01 -0.104888D+02  0.541729D+01  0.378125D+01  0.317606D+01
                86            87            88            89            90 
      1   0.978551D+01 -0.682341D+01 -0.164338D+02 -0.121889D+02  0.140802D+02
      2  -0.453238D+01  0.105901D+02  0.154386D+02  0.187314D+02 -0.158482D+02
      3  -0.525313D+01 -0.376665D+01  0.995111D+00 -0.654248D+01  0.176804D+01
      4  -0.158919D+01  0.124698D+02 -0.318528D+01  0.177884D+02 -0.110670D+01
      5   0.656483D+01 -0.319040D+01  0.323164D+01 -0.414806D+01  0.648220D+00
      6   0.173314D+02 -0.137222D+02  0.440093D+01 -0.186360D+02  0.265116D+01
                91            92            93            94            95 
      1  -0.287803D+02 -0.347585D+02  0.434753D+00 -0.523971D+02 -0.133032D+02
      2   0.166139D+02  0.190276D+02  0.162486D+01  0.286614D+02  0.373306D+01
      3   0.121664D+02  0.157309D+02 -0.205961D+01  0.237357D+02  0.957013D+01
      4  -0.402531D+02 -0.579193D-01  0.137161D+02 -0.168501D+02  0.276016D+02
      5  -0.500004D+01  0.149550D+02  0.128583D+02  0.167758D+02 -0.950891D+01
      6   0.582999D+01 -0.346665D+01 -0.547273D+01 -0.347216D+01  0.533091D+01
                96            97            98            99           100 
      1   0.149368D+02 -0.866042D+01  0.154973D+02  0.138018D+02  0.502149D+02
      2  -0.593046D+00  0.157336D+00  0.226604D+01 -0.403875D+01 -0.248327D+02
      3  -0.143437D+02  0.850308D+01 -0.177633D+02 -0.976309D+01 -0.253823D+02
      4  -0.101765D+02  0.168946D+02 -0.160188D+02  0.272643D+02  0.255490D+02
      5   0.223811D+02 -0.150097D+01  0.291860D+02  0.217628D+02 -0.224149D+02
      6  -0.642172D+01  0.185793D+01 -0.999510D+01 -0.836727D+01 -0.619303D+01
               101           102           103           104           105 
      1   0.105065D+02 -0.187707D+02  0.510530D+01  0.571328D+01 -0.324290D+00
      2  -0.302060D+01  0.993715D+01 -0.251021D+00 -0.128603D+01 -0.151906D+01
      3  -0.748589D+01  0.883352D+01 -0.485428D+01 -0.442725D+01  0.184335D+01
      4   0.143042D+02 -0.878354D+01  0.125930D+02  0.568250D+01 -0.608137D+01
      5  -0.434025D+01  0.174922D+02 -0.252975D+01 -0.611430D+01  0.390525D+01
      6  -0.200522D+01  0.549917D+01 -0.250237D+01 -0.291790D+01  0.407095D+01
               106           107           108           109           110 
      1  -0.287841D+02 -0.344598D+01  0.159691D+02  0.194278D+02  0.827536D+01
      2   0.158657D+02 -0.676952D+00 -0.114080D+02 -0.108263D+02 -0.377842D+01
      3   0.129184D+02  0.412293D+01 -0.456102D+01 -0.860149D+01 -0.449694D+01
      4  -0.146344D+02 -0.108199D+02  0.127817D+02  0.174512D+02  0.106691D+02
      5   0.245409D+02  0.814120D+01 -0.197099D+02  0.162217D+02  0.717349D+01
      6   0.801306D+01  0.513266D+01 -0.665491D+01  0.751102D+01  0.458033D+01
               111           112           113           114           115 
      1   0.772435D+01  0.612432D+01 -0.111639D+01  0.251483D+00  0.129940D+02
      2  -0.532026D+01 -0.169245D+01  0.387653D+01  0.153579D+01 -0.100831D+02
      3  -0.240409D+01 -0.443187D+01 -0.276014D+01 -0.178727D+01 -0.291096D+01
      4   0.909328D+01  0.135831D+02  0.113000D+02  0.118969D+02  0.181645D+02
      5   0.172689D+02  0.793635D+01  0.105322D+02  0.100299D+02  0.293156D+02
      6   0.652916D+01  0.653755D+01  0.821442D+01  0.944056D+01  0.136423D+02
               116           117           118           119           120 
      1   0.114332D+01  0.629793D+01 -0.706106D+00 -0.276217D+00  0.108827D+01
      2   0.107672D+01 -0.124141D+02 -0.625411D+01  0.112136D+01  0.464112D+01
      3  -0.222003D+01  0.611620D+01  0.696022D+01 -0.845138D+00 -0.572938D+01
      4   0.185176D+02  0.198780D+02 -0.217802D+01  0.382027D+01 -0.430184D+00
      5   0.156343D+02  0.366546D+02 -0.957144D+01  0.669358D+00  0.118754D+02
      6   0.126146D+02  0.192153D+02 -0.351934D+00 -0.122041D+01  0.205108D+00
               121           122           123           124           125 
      1   0.463680D+01 -0.413262D+01 -0.214764D+01  0.829337D+01 -0.110215D+00
      2  -0.101571D+01 -0.568685D+00 -0.129098D+01  0.604069D+01 -0.284554D+01
      3  -0.362109D+01  0.470131D+01  0.343862D+01 -0.143341D+02  0.295576D+01
      4   0.546131D+01  0.492029D+00 -0.331444D+01 -0.523426D+00 -0.328229D+01
      5   0.161973D+01 -0.335105D+01 -0.157385D+01  0.170979D+02 -0.196609D+01
      6  -0.180827D+01  0.126474D+01  0.674246D+01  0.185792D+01  0.462070D+01
               126           127           128           129           130 
      1  -0.233055D+02 -0.380430D+01  0.737493D+01  0.561811D+01  0.499748D+01
      2  -0.189030D+02  0.349453D+01 -0.955708D+01 -0.492183D+01 -0.606376D+01
      3   0.422086D+02  0.309769D+00  0.218216D+01 -0.696271D+00  0.106628D+01
      4  -0.130861D+01 -0.640993D+01  0.124150D+01  0.326824D+01  0.191995D+01
      5  -0.240040D+02  0.299320D+00 -0.330941D+00 -0.337806D+00 -0.309268D+00
      6  -0.102238D+01  0.660422D+01 -0.395201D+01 -0.588347D+01 -0.274902D+01
               131           132           133           134           135 
      1  -0.121070D+02 -0.482326D+01  0.875873D+01 -0.843387D+01 -0.132693D+02
      2   0.141343D+02  0.492153D+01 -0.590588D+01  0.945957D+01  0.868294D+01
      3  -0.202722D+01 -0.982725D-01 -0.285285D+01 -0.102570D+01  0.458636D+01
      4  -0.834244D+00 -0.119535D+01  0.585890D+01 -0.495398D+00 -0.198233D+01
      5   0.499642D+00  0.120699D+01  0.247813D-01  0.205928D+01  0.344384D+01
      6   0.484579D+01  0.823211D+01 -0.537813D+01  0.110194D+02  0.130769D+02
               136           137           138           139           140 
      1  -0.183898D+01  0.438159D+01 -0.119337D+01  0.275485D+01 -0.317381D+02
      2   0.341983D+01 -0.293252D+01  0.153769D+00 -0.525875D+00  0.422580D+02
      3  -0.158086D+01 -0.144907D+01  0.103960D+01 -0.222897D+01 -0.105199D+02
      4   0.448038D+01  0.762523D+01 -0.323217D+01  0.739843D+01  0.190657D+02
      5  -0.110948D+01 -0.285337D+01  0.336960D+01 -0.206773D+01 -0.868199D+01
      6  -0.380496D+01 -0.186990D+00 -0.845465D+00 -0.980250D+00 -0.266605D+02
               141           142           143           144           145 
      1   0.153039D+02 -0.446964D+00  0.213020D+02 -0.183537D+02 -0.825109D+01
      2  -0.170677D+02 -0.156647D+01 -0.224762D+02  0.130912D+02  0.686213D+01
      3   0.176376D+01  0.201344D+01  0.117423D+01  0.526249D+01  0.138896D+01
      4  -0.896181D+01 -0.441505D+01 -0.129163D+02  0.807938D+01  0.169568D+01
      5   0.575928D+01  0.287241D+01  0.895513D+01 -0.808068D+01 -0.309251D+01
      6   0.186789D+02 -0.108275D-01  0.247512D+02 -0.215807D+02 -0.576619D+01
               146           147           148           149           150 
      1  -0.102087D+02  0.568093D+01 -0.791125D+01 -0.223978D+02  0.653766D+01
      2   0.115470D+02 -0.198094D+01  0.986516D+01  0.264281D+02 -0.191666D+01
      3  -0.133832D+01 -0.369999D+01 -0.195391D+01 -0.403025D+01 -0.462100D+01
      4  -0.133084D+00 -0.109945D+01  0.165777D+01 -0.830207D+01  0.256285D+01
      5  -0.464388D+01  0.277840D+01 -0.607216D+01 -0.281113D+01 -0.241984D+01
      6  -0.891908D+01  0.333522D+01 -0.623934D+01 -0.184562D+02  0.903483D+01
               151           152           153           154           155 
      1   0.121545D+01  0.131393D+01 -0.277930D+01 -0.790063D+01  0.312655D+01
      2   0.247981D+00  0.194552D+01  0.174989D+01 -0.180163D+01  0.259940D+01
      3  -0.146343D+01 -0.325946D+01  0.102941D+01  0.970226D+01 -0.572594D+01
      4  -0.127124D+01 -0.349668D+00 -0.947440D+00  0.291881D+01 -0.298738D+01
      5   0.273944D+01 -0.111535D+01 -0.166145D+00 -0.265867D+01  0.109912D+01
      6   0.127946D+01  0.531831D+01 -0.243631D+01  0.260916D+01 -0.548189D+01
               156           157           158           159           160 
      1   0.916039D+01  0.446489D+01 -0.928435D+01 -0.952761D+01  0.508719D+01
      2   0.199221D+01  0.145513D+01  0.188135D+01 -0.400124D+01  0.168341D+01
      3  -0.111526D+02 -0.592003D+01  0.740300D+01  0.135289D+02 -0.677059D+01
      4  -0.313187D+01 -0.333770D+01  0.674723D+01  0.381331D+01 -0.324134D+01
      5   0.381439D+01  0.202049D+01 -0.107229D+01  0.327493D+01  0.511260D+01
      6  -0.279537D+01 -0.464118D+01  0.860554D+01  0.553680D+01 -0.322836D+01
               161           162           163           164           165 
      1  -0.622372D+01 -0.106022D+02  0.173014D+02 -0.167366D+01  0.420203D+01
      2  -0.227713D+01 -0.667728D+01 -0.183699D+02  0.317251D+01 -0.154946D+02
      3   0.850085D+01  0.172794D+02  0.106848D+01 -0.149885D+01  0.112926D+02
      4   0.281897D+01  0.372576D+01 -0.130383D+02  0.938168D+01 -0.980778D+01
      5  -0.289498D-01  0.197922D+01  0.333744D+02 -0.985490D+01  0.307427D+02
      6   0.562517D+01  0.449998D+01 -0.791835D+01  0.688120D+01 -0.934189D+01
               166           167           168           169           170 
      1  -0.893805D+00 -0.151736D+01  0.965069D+00  0.398863D+01  0.839409D+00
      2   0.155856D+01 -0.610882D-01  0.199721D+00 -0.133856D+02  0.196497D+01
      3  -0.664754D+00  0.157845D+01 -0.116479D+01  0.939699D+01 -0.280438D+01
      4   0.728686D+01 -0.582439D+01  0.721369D+01 -0.803832D+01  0.616633D+01
      5  -0.586246D+01  0.754240D+01 -0.537738D+01  0.258381D+02 -0.825402D+01
      6   0.516832D+01 -0.596866D+01  0.798155D+01 -0.758409D+01  0.731032D+01
               171           172           173           174           175 
      1  -0.232490D+01  0.178650D+02 -0.155774D+01 -0.108933D+02  0.573320D+01
      2  -0.178579D+02 -0.132739D+02  0.727611D+00  0.113847D+02 -0.399899D+01
      3   0.201828D+02 -0.459106D+01  0.830134D+00 -0.491475D+00 -0.173421D+01
      4  -0.861044D+01 -0.501844D+01  0.272132D+01  0.864812D+00  0.953472D+00
      5   0.311347D+02 -0.157190D+02 -0.164708D+01  0.198447D+02 -0.661606D+01
      6  -0.106414D+02  0.294693D+01 -0.544813D-01 -0.507591D+01  0.232167D+00
               176           177           178           179           180 
      1  -0.171988D+01 -0.509820D+01 -0.137702D+02 -0.249510D+01  0.992726D+01
      2  -0.469591D+00  0.755817D+01  0.147127D+02  0.487674D+01 -0.247530D+02
      3   0.218948D+01 -0.245998D+01 -0.942528D+00 -0.238165D+01  0.148257D+02
      4   0.424413D+01 -0.531303D+01  0.376096D+01 -0.855343D+01 -0.332823D+01
      5  -0.583458D+01  0.925146D+01  0.271700D+02  0.307486D+00 -0.472594D+02
      6  -0.663776D-01  0.194153D+01 -0.746123D+01  0.479454D+01  0.145990D+02
               181           182           183           184           185 
      1  -0.823526D+01 -0.188291D+02 -0.183015D+01 -0.136040D+02 -0.338435D+02
      2   0.834401D+01  0.199216D+02  0.215718D+01  0.978620D+01  0.462676D+02
      3  -0.108755D+00 -0.109249D+01 -0.327025D+00  0.381784D+01 -0.124241D+02
      4  -0.260882D+00 -0.664305D+01 -0.326700D+01  0.487714D+01 -0.311774D+02
      5   0.294859D+01 -0.176476D+01 -0.723581D+00  0.672777D+00 -0.341135D+01
      6   0.109907D+01  0.574775D+01  0.392811D+01  0.219334D+01  0.126598D+02
               186           187           188           189           190 
      1  -0.693039D+01  0.539898D+00 -0.736003D+01 -0.401550D+01  0.656600D+02
      2   0.634377D+01  0.107763D+01  0.543328D+01  0.327697D+01 -0.273587D+02
      3   0.586625D+00 -0.161753D+01  0.192675D+01  0.738524D+00 -0.383013D+02
      4  -0.448682D+01 -0.238580D+01 -0.239315D+01 -0.431746D+01 -0.383724D+02
      5  -0.458695D+01  0.300217D+01 -0.451454D+01 -0.477575D+01  0.158679D+02
      6   0.856608D+01  0.730994D+00  0.866431D+01  0.460043D+01 -0.716725D+01
               191           192           193           194           195 
      1  -0.190218D+02  0.161257D+02 -0.110550D+02  0.595191D+01 -0.403711D+01
      2   0.454548D+01 -0.590567D+01  0.313677D+00  0.368510D+01  0.217588D+00
      3   0.144763D+02 -0.102201D+02  0.107413D+02 -0.963702D+01  0.381952D+01
      4   0.211482D+02 -0.101719D+02  0.185529D+02 -0.154607D+02  0.701270D+01
      5  -0.571062D+01  0.155114D+02 -0.494260D+01  0.525815D+01 -0.202532D+01
      6   0.367745D+01 -0.666588D+01  0.359535D+01 -0.200421D+01  0.293594D+01
               196           197           198           199           200 
      1   0.284300D+02 -0.874670D+01  0.144626D+02 -0.195466D+00  0.358488D+00
      2  -0.106176D+02  0.811322D+00 -0.867363D+01 -0.516816D+00  0.644788D-01
      3  -0.178124D+02  0.793538D+01 -0.578901D+01  0.712282D+00 -0.422967D+00
      4  -0.205375D+02  0.152165D+02 -0.946945D+01  0.750207D+00  0.282985D+01
      5   0.193666D+02 -0.604191D+01  0.136881D+02  0.259060D+00  0.148837D+01
      6  -0.824470D+01  0.416605D+01 -0.691687D+01  0.246645D+01  0.461457D+00
               201           202           203           204           205 
      1   0.600482D+00  0.385372D+01 -0.167473D+02 -0.734985D+01  0.123915D+01
      2  -0.527500D+00 -0.256442D+01  0.158530D+02  0.305521D+01 -0.291659D+01
      3  -0.729813D-01 -0.128930D+01  0.894298D+00  0.429464D+01  0.167744D+01
      4   0.108002D+01  0.252728D+01  0.499278D+01  0.186670D+01  0.183177D+01
      5   0.171202D+01  0.137995D+01  0.261068D+01  0.227391D+01  0.187687D+01
      6   0.824204D+00 -0.627098D+00  0.113935D+02  0.728886D+01  0.213776D+01
               206           207           208           209           210 
      1  -0.512903D+01 -0.272108D+01  0.816109D+00 -0.429864D+01 -0.155612D+01
      2   0.225261D+01  0.156918D+01  0.171260D+01  0.251189D+01  0.688369D+00
      3   0.287642D+01  0.115190D+01 -0.252871D+01  0.178675D+01  0.867751D+00
      4   0.803717D+00  0.113647D+01 -0.374794D+01  0.363160D+01  0.131151D+01
      5   0.191944D+01  0.861506D+00 -0.208565D+01  0.926470D+00  0.570880D+00
      6   0.551740D+01  0.424627D+01  0.812164D+00 -0.916232D+00 -0.431007D-02
               211           212           213           214           215 
      1  -0.404551D+01 -0.144563D+02 -0.187655D+01 -0.280833D+01 -0.212884D+01
      2   0.897566D+00  0.211960D+02  0.243185D+01 -0.275192D+00  0.335512D+01
      3   0.314794D+01 -0.673979D+01 -0.555298D+00  0.308353D+01 -0.122628D+01
      4   0.645495D+01 -0.177590D+02 -0.328002D+01  0.373413D+01 -0.444104D+01
      5   0.185549D+01 -0.257329D+01 -0.282008D+01 -0.181344D+01 -0.184030D+01
      6  -0.118569D+01  0.117791D+01  0.407501D+01  0.178656D+01  0.289087D+01
               216           217           218           219           220 
      1  -0.320159D+01  0.162396D+02 -0.726856D+01  0.704347D+01 -0.178688D+02
      2   0.270986D+01 -0.519280D+01  0.166448D+01 -0.296686D+01  0.355220D+01
      3   0.491730D+00 -0.110468D+02  0.560408D+01 -0.407661D+01  0.143166D+02
      4  -0.239055D+01 -0.875937D+01  0.105490D+02 -0.679659D+01  0.290486D+02
      5  -0.105312D+01  0.811814D+01 -0.599958D+01  0.369262D+01 -0.596694D+01
      6   0.174610D+01 -0.323319D+01  0.112828D+01 -0.482521D+00  0.281376D+01
               221           222           223           224           225 
      1   0.805620D+01 -0.636198D+00  0.180477D+02 -0.589065D+01  0.854153D+00
      2   0.110167D+02 -0.476179D+01 -0.696344D+01 -0.342230D+01  0.405757D+00
      3  -0.190729D+02  0.539799D+01 -0.110843D+02  0.931296D+01 -0.125991D+01
      4  -0.518112D+02  0.155397D+02 -0.162481D+02  0.249404D+02 -0.197332D+02
      5   0.167036D+02 -0.186766D+02  0.118820D+02 -0.208944D+02  0.179574D+02
      6  -0.727160D+01  0.750382D+01 -0.419636D+01  0.939402D+01 -0.697376D+01
               226           227           228           229           230 
      1   0.777598D-01 -0.790408D+00 -0.102453D+02 -0.521312D+01 -0.194542D+01
      2  -0.145501D+01  0.124508D+00  0.310715D+01  0.224274D+01  0.202191D+01
      3   0.137725D+01  0.665900D+00  0.713820D+01  0.297038D+01 -0.764893D-01
      4   0.317913D+01 -0.169240D+01 -0.205747D+01  0.107751D+02 -0.198164D+02
      5  -0.397248D+01 -0.284146D+01 -0.273800D+01  0.282541D+01 -0.126427D+02
      6   0.230182D+01  0.222057D+01  0.233355D+01 -0.150300D+01  0.769759D+01
               231           232           233           234           235 
      1  -0.611594D+01 -0.173842D+02 -0.601593D+01 -0.134254D+02  0.100212D+03
      2   0.182138D+01  0.114867D+02 -0.208790D+00 -0.882666D+01 -0.536288D+02
      3   0.429456D+01  0.589748D+01  0.622472D+01  0.222520D+02 -0.465834D+02
      4  -0.127369D+02  0.635719D+01 -0.142216D+02 -0.199552D+02  0.166709D+02
      5  -0.172675D+02  0.147108D+02 -0.216187D+02 -0.517043D+02 -0.123021D+02
      6   0.105835D+02 -0.331853D+01  0.117938D+02  0.170691D+02 -0.279999D+01
               236           237           238           239           240 
      1   0.206639D+02 -0.712429D+01  0.423155D+02  0.176280D+02 -0.445422D+01
      2  -0.119974D+02  0.519388D+01 -0.229606D+02 -0.826407D+01  0.253051D+01
      3  -0.866648D+01  0.193041D+01 -0.193548D+02 -0.936397D+01  0.192370D+01
      4   0.149904D+02 -0.279350D+01  0.201436D+02  0.146584D+02 -0.902467D+00
      5  -0.388349D+01  0.134459D+02 -0.702913D+01 -0.162266D+01  0.626858D+01
      6  -0.149997D+01  0.105662D+00 -0.242711D+01 -0.250405D+01  0.201435D+01
               241           242           243 
      1  -0.385083D+01 -0.248058D+01  0.105885D+02
      2   0.375235D+01  0.924703D+00 -0.732575D+01
      3   0.984833D-01  0.155588D+01 -0.326275D+01
      4  -0.253215D+01  0.804991D+00  0.150092D+01
      5   0.157742D+02  0.203729D+01 -0.599179D+01
      6   0.406343D+00  0.236666D+01  0.324572D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124577D+01      0.316643D+01      0.105621D+02
   x          0.753203D+00      0.191445D+01      0.638592D+01
   y          0.976112D+00      0.248103D+01      0.827583D+01
   z          0.178418D+00      0.453492D+00      0.151269D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.123244D+03      0.182628D+02      0.203201D+02
   aniso      0.550687D+02      0.816033D+01      0.907960D+01
   xx         0.157753D+03      0.233766D+02      0.260100D+02
   yx        -0.327875D+01     -0.485861D+00     -0.540593D+00
   yy         0.114652D+03      0.169897D+02      0.189036D+02
   zx        -0.516232D+01     -0.764976D+00     -0.851151D+00
   zy         0.228517D+01      0.338627D+00      0.376773D+00
   zz         0.973254D+02      0.144221D+02      0.160468D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.128087D+03      0.189805D+02      0.211186D+02
   aniso      0.570242D+02      0.845011D+01      0.940202D+01
   xx         0.164118D+03      0.243197D+02      0.270594D+02
   yx        -0.317419D+01     -0.470366D+00     -0.523353D+00
   yy         0.118396D+03      0.175445D+02      0.195209D+02
   zx        -0.514876D+01     -0.762967D+00     -0.848916D+00
   zy         0.208611D+01      0.309129D+00      0.343952D+00
   zz         0.101746D+03      0.150772D+02      0.167757D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.84350102         -4.11458160          1.11749627
     6          2.71549977         -2.09377643          1.96139727
     6          1.80939708          0.66985641          1.27982759
     6          0.29059178          1.05229429         -1.03462875
     6         -2.10477951          1.82814416         -1.15084451
     6         -3.44321037          2.11089180         -3.59966085
     8         -2.45468518          1.62065308         -5.61369948
     6          5.38602942         -2.76339846          1.15736277
     6          2.32147388         -1.36270363          4.78012289
     6          0.65938131          0.89181585          3.94881994
     6         -6.13810695          3.04871696         -3.44770045
     1          4.08098051         -0.74157458          5.65623075
     1          1.44784775         -2.78821811          5.98401243
     1          3.50522779          1.84928067          1.14766810
     1         -1.34368010          0.41530459          3.97294713
     1          0.91773251          2.68099268          4.93192395
     1          0.87888355         -4.36234917         -0.93042501
     1         -1.09024428         -3.64229132          1.65438282
     1          1.32059464         -5.92472620          1.98824646
     1          6.73472472         -1.33132072          1.78023032
     1          5.52555110         -2.92249386         -0.89758934
     1          5.96397377         -4.57524878          1.96433571
     1          1.21749486          0.64155198         -2.82249600
     1         -3.14697583          2.28601847          0.55249684
     1         -6.19568552          4.89289195         -2.51772021
     1         -7.27218713          1.76103447         -2.29642332
     1         -6.94542124          3.19235938         -5.33138021

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124577D+01      0.316643D+01      0.105621D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124577D+01      0.316643D+01      0.105621D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.123244D+03      0.182628D+02      0.203201D+02
   aniso      0.550687D+02      0.816033D+01      0.907960D+01
   xx         0.135502D+03      0.200794D+02      0.223413D+02
   yx        -0.203930D+02     -0.302193D+01     -0.336235D+01
   yy         0.107664D+03      0.159541D+02      0.177513D+02
   zx         0.184667D+02      0.273648D+01      0.304475D+01
   zy        -0.720680D+01     -0.106794D+01     -0.118824D+01
   zz         0.126565D+03      0.187550D+02      0.208677D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.128087D+03      0.189805D+02      0.211186D+02
   aniso      0.570242D+02      0.845011D+01      0.940202D+01
   xx         0.140537D+03      0.208254D+02      0.231713D+02
   yx        -0.207729D+02     -0.307823D+01     -0.342499D+01
   yy         0.112386D+03      0.166539D+02      0.185300D+02
   zx         0.196181D+02      0.290710D+01      0.323458D+01
   zy        -0.784237D+01     -0.116212D+01     -0.129303D+01
   zz         0.131337D+03      0.194622D+02      0.216546D+02

 ----------------------------------------------------------------------
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 NOTHING WILL BE ATTEMPTED IF ALL POSSIBLE OBJECTIONS
 MUST FIRST BE OVERCOME.

                               -- THE GOLDEN PRINCIPLE,
                    PAUL DICKSON'S "THE OFFICIAL RULES"
 Job cpu time:       0 days  5 hours 12 minutes 21.5 seconds.
 Elapsed time:       0 days  0 hours 39 minutes  9.5 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:27:31 2021.
